CAS: 57-87-4 Formule moléculaire: C₂₈H₄₄O Poids moléculaire (g/mol): 396.64 Numéro MDL: MFCD00003623 Clé InChI: DNVPQKQSNYMLRS-APGDWVJJSA-N Synonyme: ergosta-5,7,22-trien-3-ol, 3b,22e, 22e-ergosta-5,7,22-trien-3beta-ol, 22e,24s-24-methylcholesta-5,7,22-trien-3beta-ol, 3beta-hydroxy-5,7,22-ergostatriene, 5,7,22-ergostatrien-3beta-ol, ergosta-5,7,22e-trien-3beta-ol, ergosterin, unii-z30ray509f, provitamin d2, ergosterol CID PubChem: 444679 ChEBI: CHEBI:16933 Nom IUPAC: (3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-diméthylhept-3-èn-2-yl]-10,13-diméthyl-2,3,4,9,11,12,14,15,16,17-décahydro-1H-cyclopenta[a]phénanthrèn-3-ol SMILES: CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C

CAS: 57-88-5 Formule moléculaire: C27H46O Clé InChI: HVYWMOMLDIMFJA-DPAQBDIFSA-N Synonyme: cholesterine, provitamin d, dusoran, dusoline, cordulan, cholestrin, cholesteryl alcohol, cholest-5-en-3beta-ol, cholesterin, cholesterol CID PubChem: 5997 ChEBI: CHEBI:16113

CAS: 128-13-2 Formule moléculaire: C24H40O4 Poids moléculaire (g/mol): 392.58 Numéro MDL: MFCD00003680 Clé InChI: RUDATBOHQWOJDD-UZVSRGJWSA-N Synonyme: ursodesoxycholic acid, urso forte, urso, ursodeoxycholate, delursan, ursolvan, ursofalk, actigall, ursodiol, ursodeoxycholic acid CID PubChem: 31401 ChEBI: CHEBI:9907 SMILES: [H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C

CAS: 57-87-4 Formule moléculaire: C28H44O Numéro MDL: MFCD00003623 Clé InChI: DNVPQKQSNYMLRS-APGDWVJJSA-N CID PubChem: 444679 ChEBI: CHEBI:16933

CAS: 434-13-9 Formule moléculaire: C24H40O3 Poids moléculaire (g/mol): 376.581 Numéro MDL: MFCD00003682 Clé InChI: SMEROWZSTRWXGI-HVATVPOCSA-N Synonyme: 3alpha-hydroxy-5beta-cholanoic acid, 5beta-cholanic acid-3alpha-ol, 3-alpha-hydroxycholanic acid, 3alpha-hydroxycholanic acid, 3-hydroxycholan-24-oic acid, 3alpha-hydroxy-5beta-cholan-24-oic acid, 3alpha-hydroxy-5beta-cholanic acid, lithocholate, lithocolic acid, lithocholic acid CID PubChem: 9903 ChEBI: CHEBI:16325 Nom IUPAC: (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-diméthyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tétradecahydro-1H-cyclopenta[a]phénanthrènes-17-yl]pentanoïque SMILES: CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C

CAS: 17994-25-1 Formule moléculaire: C4H5O3 Poids moléculaire (g/mol): 101.08 Numéro MDL: MFCD00010797 Clé InChI: GQXURJDNDYACGE-UHFFFAOYSA-M Synonyme: 1-hydroxycyclo-propanecarboxylic acid, 1-hydroxycyclopropanecaboxylic acid, 1-carboxy-1-hydroxycyclopropane, acmc-20a5ho, pubchem12465, 1-hydroxy-1-cyclopropyl carboxylic acid, cyclopropanecarboxylic acid, 1-hydroxy, 1-hydroxy-cyclopropanecarboxylic acid, 1-hydroxycyclopropanecarboxylic acid, 1-hydroxy-1-cyclopropanecarboxylic acid CID PubChem: 2733160 Nom IUPAC: 1-hydroxycyclopropane-1-carboxylate SMILES: OC1(CC1)C([O-])=O

CAS: 83-44-3 Formule moléculaire: C24H40O4 Poids moléculaire (g/mol): 392.58 Numéro MDL: MFCD00003673 Clé InChI: KXGVEGMKQFWNSR-LLQZFEROSA-N Synonyme: pyrochol, droxolan, deoxycholatic acid, degalol, cholorebic, cholerebic, choleic acid, desoxycholic acid, deoxycholate, deoxycholic acid CID PubChem: 222528 ChEBI: CHEBI:28834 SMILES: [H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C

CAS: 83-44-3 Formule moléculaire: C24H40O4 Poids moléculaire (g/mol): 392.58 Numéro MDL: MFCD00003673 Clé InChI: KXGVEGMKQFWNSR-LLQZFEROSA-N Synonyme: pyrochol, droxolan, deoxycholatic acid, degalol, cholorebic, cholerebic, choleic acid, desoxycholic acid, deoxycholate, deoxycholic acid CID PubChem: 222528 ChEBI: CHEBI:28834 Nom IUPAC: (4R)-4-[(3R,5R,8R,9S,10 S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-diméthyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tétradecahydro-1H-cyclopenta[a]phénanthrènes-17-yl]acide pentanoïque SMILES: [H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C

CAS: 30282-14-5 Formule moléculaire: C6H10O2 Poids moléculaire (g/mol): 114.144 Numéro MDL: MFCD00151157 Clé InChI: ODZTXUXIYGJLMC-UHFFFAOYSA-N Synonyme: acmc-20n5uh, zlchem 1128, cyclohexanone, dimer, cyclohexanone, 2-hydroxy-, dimer, cyclohexanone, 2-hydroxy-, 2r, 2-hydroxy-cyclohexanone, cyclohexanone, 2-hydroxy, 2-hydroxy-1-cyclohexanone, adipoin, 2-hydroxycyclohexanone CID PubChem: 10785 ChEBI: CHEBI:17878 Nom IUPAC: 2-hydroxycyclohexane-1-one SMILES: C1CCC(=O)C(C1)O

CAS: 50673-97-7 Formule moléculaire: C27H44O2 Poids moléculaire (g/mol): 400.65 Numéro MDL: MFCD09065035 Clé InChI: LINVVMHRTUSXHL-NDNSGUFDSA-N Synonyme: colestolonum inn-latin, 5alpha-cholest-8 14-en-3-beta-ol-15-one, colestolone usan:inn, 15-oxo-5alpha-cholest-8 14-en-3beta-ol, 3beta-hydroxy-5alpha-cholest-8 14-en-15-one, unii-5p8396t5xf, 15-ketocholestene, colestolona, colestolonum, colestolone CID PubChem: 10046567 ChEBI: CHEBI:61829 SMILES: CC(C)CCCC(C)[C@H]1CC(=O)C2=C3CC[C@H]4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C

CAS: 16561-29-8 Formule moléculaire: C36H56O8 Poids moléculaire (g/mol): 616.84 Numéro MDL: MFCD00036736 Clé InChI: PHEDXBVPIONUQT-RGYGYFBISA-N Synonyme: phorbol-12-myristate-13-acetate, phorbol 13-acetate 12-myristate, factor a1 croton oil, 12-tetradecanoylphorbol 13-acetate, tetradecanoylphorbol acetate, factor a1, 12-o-tetradecanoylphorbol 13-acetate, 12-o-tetradecanoylphorbol-13-acetate, phorbol ester, phorbol 12-myristate 13-acetate CID PubChem: 27924 ChEBI: CHEBI:37537 Nom IUPAC: (1S,2S,6R,10S,11R,13S,14R,15R)-13-(acetyloxy)-1,6-dihydroxy-8-(hydroxyméthyle)-4,12,12,15-tétraméthyle-5-oxotétracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadéca-3,8-dien-14-yl tétradecanoate SMILES: CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O

CAS: 22428-87-1 Formule moléculaire: C8H14O3 Poids moléculaire (g/mol): 158.20 Numéro MDL: MFCD00067003 Clé InChI: HKQTYQDNCKMNHZ-UHFFFAOYSA-N Synonyme: 4,4-ethylenedioxycyclohexanol, acmc-1chv5, pubchem20110, 8-hydroxy-1,4-dioxaspiro 4.5 decane, 4-hydroxycyclohexanone monoethylene ketal, 4-hydroxycyclohexanone ethylene acetal, 1,4-dioxa-spiro 4.5 decan-8-ol, 1,4-dioxaspiro 4.5 decan-8-ol CID PubChem: 567352 Nom IUPAC: 1,4-dioxaspiro[4,5]décan-8-ol SMILES: OC1CCC2(CC1)OCCO2

CAS: 145-13-1 Formule moléculaire: C₂₁H₃₂O₂ Poids moléculaire (g/mol): 316.47 Numéro MDL: MFCD00003628 Clé InChI: ORNBQBCIOKFOEO-OYZZJKLHSA-N Synonyme: 3-hydroxypregn-5-en-20-one CID PubChem: 44307923 Nom IUPAC: 1-[(10R,13S)-3-hydroxy-10,13-diméthyl-2,3,4,7,8,9,11,12,14,15,16,17-dodécahydro-1H-cyclopenta[a]phénanthrènes-17-yl]éthanone SMILES: CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C

CAS: 700-57-2 Formule moléculaire: C10H16O Poids moléculaire (g/mol): 152.237 Numéro MDL: MFCD00074744 Clé InChI: FOWDOWQYRZXQDP-UHFFFAOYSA-N Synonyme: pubchem8753, 2alpha-adamantanol, 1-adamantanol;, 1r,3r,5r,7r-adamantan-2-ol, tricyclo 3.3.1.1∼3,7∼ decan-2-ol, tricyclo 3.3.1.13,7 decan-2-ol, 2-hydroxyadamantane, 2-adamantanol CID PubChem: 64149 Nom IUPAC: adamantan-2-ol SMILES: C1C2CC3CC1CC(C2)C3O

CAS: 2919-23-5 Formule moléculaire: C4H8O Poids moléculaire (g/mol): 72.11 Numéro MDL: MFCD00001318 Clé InChI: KTHXBEHDVMTNOH-UHFFFAOYSA-N Synonyme: kthxbehdvmtnoh-uhfffaoysa, ksc206s6t, cyclobutanol 1g, cyclobutanol, acmc-1cgim, hydroxycyclobutane, cyclobutyl hydroxide, cyclobutyl alcohol CID PubChem: 76218 Nom IUPAC: cyclobutanol SMILES: OC1CCC1

CAS: 257932-29-9 Formule moléculaire: C9H14O3 Poids moléculaire (g/mol): 170.21 Numéro MDL: MFCD00180256 Clé InChI: FSQSHXLJRFYYMV-UHFFFAOYNA-N Synonyme: bicyclo 3.2.1 octane-6-carboxylicacid, 2-hydroxy, 4-hydroxybicyclo 3.2.1 octane-7-carboxylic acid, maybridge1_002398, 2-hydroxybicyclo 3.2.1 octane-6-carboxylic acid CID PubChem: 2802922 Nom IUPAC: 2-hydroxybicyclo[3.2.1]octane-6-carboxylic acid SMILES: OC1CCC2CC1CC2C(O)=O

CAS: 128-13-2 Formule moléculaire: C24H40O4 Poids moléculaire (g/mol): 392.58 Numéro MDL: MFCD00003680 Clé InChI: RUDATBOHQWOJDD-UZVSRGJWSA-N Synonyme: ursodesoxycholic acid, urso forte, urso, ursodeoxycholate, delursan, ursolvan, ursofalk, actigall, ursodiol, ursodeoxycholic acid CID PubChem: 31401 ChEBI: CHEBI:9907 Nom IUPAC: 4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-acide dihydroxy-10,13-diméthyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tétradecahydro-1H-cyclopenta[a]phénanthrène-17-yl]pentanoïque SMILES: [H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C

CAS: 469-83-0 Formule moléculaire: C20H28O3 Poids moléculaire (g/mol): 316.44 Numéro MDL: MFCD01075769 Clé InChI: DNJVYWXIDISQRD-HWUKTEKMSA-N Synonyme: 3bs,5as,7r,8r,10ar,10bs-7-hydroxymethyl-10b-methyl-3b,4,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-5a,8-methanocyclohepta 5,6 naphtho 2,1-b furan-7-ol, 1s,4s,12s,13r,16r,17r-17-hydroxymethyl-12-methyl-8-oxapentacyclo 14.2.1.0 1,13 .0 4,12 .0 5,9 nonadeca-5 9 ,6-dien-17-ol, --cafestol, 5a,8-methano-5ah-cyclohepta 5,6 naphtho 2,1-b furan-7-methanol, 3b,4,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-7-hydroxy-10b-methyl-, 3bs-3balpha,5abeta,7beta,8beta,10aalpha,10bbeta, 5a,8-methano-5ah-cyclohepta 5,6 naphtho 2,1-b furan-7-methanol, 3b,4,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-7-hydroxy-10b-methyl-, 3bs,5as,7r,8r,10ar,10bs, unii-ac465t6q6w, ccris 1518, cafesterol, cafestol CID PubChem: 108052 ChEBI: CHEBI:3291 Nom IUPAC: (1S,4S,12S,13R,16R,17R)-17-(hydroxyméthyle)-12-méthyle-8-oxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁵,⁹]nonadeca-5(9),6-dien-17-ol SMILES: C[C@@]12CCC3=C(C=CO3)[C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CO)C3

CAS: 16561-29-8 Formule moléculaire: C36H56O8 Poids moléculaire (g/mol): 616.84 Numéro MDL: MFCD00036736 Clé InChI: PHEDXBVPIONUQT-RGYGYFBISA-N Synonyme: phorbol-12-myristate-13-acetate, phorbol 13-acetate 12-myristate, factor a1 croton oil, 12-tetradecanoylphorbol 13-acetate, tetradecanoylphorbol acetate, factor a1, 12-o-tetradecanoylphorbol 13-acetate, 12-o-tetradecanoylphorbol-13-acetate, phorbol ester, phorbol 12-myristate 13-acetate CID PubChem: 27924 ChEBI: CHEBI:37537 Nom IUPAC: (1S,2S,6R,10S,11R,13S,14R,15R)-13-(acetyloxy)-1,6-dihydroxy-8-(hydroxyméthyle)-4,12,12,15-tétraméthyle-5-oxotétracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadéca-3,8-dien-14-yl tétradecanoate SMILES: CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O

CAS: 374-32-3 Formule moléculaire: C4H4F4O Poids moléculaire (g/mol): 144.069 Numéro MDL: MFCD00190085 Clé InChI: FNENUTDUAXPVTF-UHFFFAOYSA-N Synonyme: cyclobutanol,2,2,3,3-tetrafluoro, cyclobutanol, 2,2,3,3-tetrafluoro, 2,2,3,3-tetrafluorocyclobutanol CID PubChem: 2776621 Nom IUPAC: 2,2,3,3-tétrafluorocyclobutan-1-ol SMILES: C1C(C(C1(F)F)(F)F)O

CAS: 2919-23-5 Formule moléculaire: C4H8O Poids moléculaire (g/mol): 72.11 Numéro MDL: MFCD00001318 Clé InChI: KTHXBEHDVMTNOH-UHFFFAOYSA-N Synonyme: kthxbehdvmtnoh-uhfffaoysa, ksc206s6t, cyclobutanol 1g, cyclobutanol, acmc-1cgim, hydroxycyclobutane, cyclobutyl hydroxide, cyclobutyl alcohol CID PubChem: 76218 Nom IUPAC: cyclobutanol SMILES: OC1CCC1

CAS: 13080-90-5 Formule moléculaire: C7H10O Poids moléculaire (g/mol): 110.156 Numéro MDL: MFCD00167566 Clé InChI: MKOSBHNWXFSHSW-UHFFFAOYSA-N Synonyme: 5-norbornen-2-ol exo, bicyclo 2.2.1 hept-5-en-2-ol, exo, bicyclo 2.2.1 hept-2-en-5-ol, exo-2-norbornenol, 5-norbornen-2-ol, exo, 5-norbornen-2-ol, bicyclo 2.2.1 hept-5-en-2-ol, 5-norbornene-2-ol CID PubChem: 96066 Nom IUPAC: bicyclo[2.2.1]hept-2-en-5-ol SMILES: C1C2CC(C1C=C2)O

CAS: 14320-38-8 Formule moléculaire: C5H8O Poids moléculaire (g/mol): 84.12 Numéro MDL: MFCD00798186 Clé InChI: WEIMJSIRDZDHAH-UHFFFAOYSA-N Nom IUPAC: cyclovent-3-en-1-ol SMILES: OC1CC=CC1

CAS: 57-88-5 Formule moléculaire: C27H46O Poids moléculaire (g/mol): 386.664 Numéro MDL: MFCD00003646 Clé InChI: HVYWMOMLDIMFJA-DPAQBDIFSA-N Synonyme: cholesterine, provitamin d, dusoran, dusoline, cordulan, cholestrin, cholesteryl alcohol, cholest-5-en-3beta-ol, cholesterin, cholesterol CID PubChem: 5997 ChEBI: CHEBI:16113 Nom IUPAC: (3S,8S,9S,10R,13R,14S,17R)-10,13-diméthyl-17-[(2R)-6-méthylheptane-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodécahydro-1H-cyclopenta[a]phénanthrène-3-ol SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C