Products 20231-57-6

CAS 20231-57-6 appears in our catalog under these names: 3Beta-Hydroxychol-5-enoic Acid Methyl Ester, Cholenic acid methyl ester, Methyl-3β-hydroxycholenate. Offered by: TRC, Biosynth, MedChemExpress. Available pack sizes: 100mg, 10mg, 500mg, 250mg, 100 mg, 10 mg.

3Beta-Hydroxychol-5-enoic Acid Methyl Ester
TRC
  • size: 100mg, 10mg
  • Variants: 2
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Cholenic acid methyl ester
Biosynth
  • size: 500mg, 250mg
  • Variants: 2
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Methyl-3β-hydroxycholenate
MedChemExpress
  • size: 100 mg, 10 mg
  • Variants: 2
from 2037.97
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Structural formula: {0} (CAS {1})

Methyl (4R)-4-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate (CAS 20231-57-6) is a chemical compound with the molecular formula C25H40O3 and a molecular weight of 388.6 g/mol. IUPAC name: methyl (4R)-4-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate. InChIKey: IMNIZYXAQQBADI-OZECAXSSSA-N.

Identity
Molecular formulaC25H40O3
Molecular weight388.6 g/mol
IUPAC namemethyl (4R)-4-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
InChIKeyIMNIZYXAQQBADI-OZECAXSSSA-N
SMILESC[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C

Computed by PubChem (NCBI)

Synonyms: Methyl-3|A-hydroxycholenate, Methyl 3beta-hydroxychol-5-enoate, Methyl delta5-3beta-hydroxycholanoate, Methyl-3-hydroxycholenate, cholenic acid methyl ester, orb1709210, Ursodeoxycholic Acid Impurity 12, IMNIZYXAQQBADI-OZECAXSSSA-N, Chol-5-en-24-oic acid, 3-hydroxy-, methyl ester, (3.beta.)-, Methyl 3|A-hydroxychol-5-en-24-oate
Isomers (same molecular formula)
(2S,4R,5R)-4-[(E)-pentadec-1-enyl]-2-phenyl-1,3-dioxan-5-ol C25H40O3
(6aR,9R,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol C25H40O3
methyl (4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate C25H40O3