Products 125112-78-9

CAS 125112-78-9 is the registry number for (3alpha,5beta,6beta,7beta)- 3-((Ethoxycarbonyl)oxy)-6,7-dihydroxy-cholan-24-oic Acid Methyl Ester. Offered by: TRC. Available pack sizes: 100mg.

(3alpha,5beta,6beta,7beta)- 3-((Ethoxycarbonyl)oxy)-6,7-dihydroxy-cholan-24-oic Acid Methyl Ester
TRC
  • size: 100mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

Methyl (4R)-4-[(3R,5R,6S,7R,10R,13R,14S,17R)-3-ethoxycarbonyloxy-6,7-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 (CAS 125112-78-9) is a chemical compound with the molecular formula C28H46O7 and a molecular weight of 494.7 g/mol. IUPAC name: methyl (4R)-4-[(3R,5R,6S,7R,10R,13R,14S,17R)-3-ethoxycarbonyloxy-6,7-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. InChIKey: GBQFIZZGFDTNGK-TXJSDZMYSA-N.

Identity
Molecular formulaC28H46O7
Molecular weight494.7 g/mol
IUPAC namemethyl (4R)-4-[(3R,5R,6S,7R,10R,13R,14S,17R)-3-ethoxycarbonyloxy-6,7-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
InChIKeyGBQFIZZGFDTNGK-TXJSDZMYSA-N
SMILESCCOC(=O)O[C@@H]1CC[C@]2([C@@H](C1)[C@@H]([C@@H](C3C2CC[C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)OC)C)O)O)C

Computed by PubChem (NCBI)

Isomers (same molecular formula)
(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R,5R)-2,3,6-trihydroxy-5,6-dimethylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one C28H46O7