(R)–Methyl 4–((3R,5R,8R,9S,10S,12S,13R,14S,17R)–3,12–dihydroxy–10,13–dimethylhexadecahydro–1H–cyclopenta(a)phenanthren–17–yl)pentanoate

cas: 3245-38-3 — see every product listed under this CAS number, including other names

(R)–Methyl 4–((3R,5R,8R,9S,10S,12S,13R,14S,17R)–3,12–dihydroxy–10,13–dimethylhexadecahydro–1H–cyclopenta(a)phenanthren–17–yl)pentanoate (CAS 3245-38-3) is a chemical reagent available from Chemat. Available pack sizes: 100mg, 1g, 250mg. Offered by: GLPBio.

• 2D
• 3D

Deoxycholic acid methyl ester is a cholanoid.

Source: ChEBI

Identity

Molecular formula	C25H42O4
Molecular weight	406.6 g/mol
IUPAC name	methyl (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
InChIKey	ZHUOOEGSSFNTNP-JMKDMENQSA-N
SMILES	C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

Computed by PubChem (NCBI)

Synonyms: Methyl desoxycholate, Methyl deoxycholate, Deoxycholic Acid Methyl Ester, Methyl 7-desoxycholate, Deoxycholic acid, methyl ester, Methyl 3alpha,12alpha-dihydroxy-5beta-cholan-24-oate, Methyl 3.alpha.,12.alpha.-dihydroxy-5.beta.-cholanoate, Methyl 3.alpha.,12.alpha.-dihydroxy-5.beta.-cholan-24-oate, 5.beta.-Cholan-24-oic acid, 3.alpha.,12.alpha.-dihydroxy-, methyl ester, Methyl 3,12-dihydroxycholan-24-oate, (3.alpha.,5.beta.,12.alpha.)-

Related forms of this compound

methyl (4R)-4-[(3R,5R,8R,9S,10S,12R,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate C₂₅H₄₂O₄

methyl (4R)-4-[(3R,5R,10S,12S,13R,14S,17R)-2,2,3,4,4-pentadeuterio-3,12-dihydroxy-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate C₂₅H₄₂O₄

Isomers (same molecular formula)

methyl (4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate C₂₅H₄₂O₄

methyl (4R)-4-[(3S,5R,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate C₂₅H₄₂O₄

methyl (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate C₂₅H₄₂O₄

methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate C₂₅H₄₂O₄

methyl (4R)-4-[(3S,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate C₂₅H₄₂O₄

trans-bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (1S,2S)-cyclopropane-1,2-dicarboxylate C₂₅H₄₂O₄

methyl (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-2,2,3,4,4-pentadeuterio-3,7-dihydroxy-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate C₂₅H₄₂O₄

trans-(1R,3R)-5-[(2E)-2-[(1S,3aS,7aS)-1-[(1S)-1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol C₂₅H₄₂O₄

methyl 4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate C₂₅H₄₂O₄