Products 1831863-19-4

CAS 1831863-19-4 is the registry number for Methyl 3alpha-Acetoxy-6-ethyl-7-keto-5beta-cholanate. Offered by: TRC. Available pack sizes: 500mg.

Methyl 3alpha-Acetoxy-6-ethyl-7-keto-5beta-cholanate
TRC
  • size: 500mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

Methyl (4R)-4-[(3R,5S,6S,8S,9S,10S,13R,14S,17R)-3-acetyloxy-6-ethyl-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate (CAS 1831863-19-4) is a chemical compound with the molecular formula C29H46O5 and a molecular weight of 474.7 g/mol. IUPAC name: methyl (4R)-4-[(3R,5S,6S,8S,9S,10S,13R,14S,17R)-3-acetyloxy-6-ethyl-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate. InChIKey: MVCNVEOJSIFSOO-BIRUOBCZSA-N.

Identity
Molecular formulaC29H46O5
Molecular weight474.7 g/mol
IUPAC namemethyl (4R)-4-[(3R,5S,6S,8S,9S,10S,13R,14S,17R)-3-acetyloxy-6-ethyl-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
InChIKeyMVCNVEOJSIFSOO-BIRUOBCZSA-N
SMILESCC[C@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C1=O)CC[C@@H]4[C@H](C)CCC(=O)OC)C)C)OC(=O)C

Computed by PubChem (NCBI)

Synonyms: Methyl 3?-Acetoxy-6-ethyl-7-keto-5?-cholanate
Isomers (same molecular formula)
(2E)-6-methyl-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16R)-3,11,16-trihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]hept-5-enoic acid C29H46O5
(2Z)-6-methyl-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-3,11,16-trihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]hept-5-enoic acid C29H46O5