Products 3749-87-9

CAS 3749-87-9 is the registry number for Methyl 3,7-Di-O-acetylcholate. Offered by: Chemat Brand, TRC. Available pack sizes: on request, 100mg, 250mg.

Methyl 3,7-Di-O-acetylcholate
Chemat Brand, TRC
  • size: on request, 100mg, 250mg
  • Variants: 3
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Structural formula: {0} (CAS {1})

Methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7-diacetyloxy-12-hydroxy-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 3749-87-9) is a chemical compound with the molecular formula C29H46O7 and a molecular weight of 506.7 g/mol. IUPAC name: methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7-diacetyloxy-12-hydroxy-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: VKXXPYARELKQOY-CXFLVZIOSA-N.

Identity
Molecular formulaC29H46O7
Molecular weight506.7 g/mol
IUPAC namemethyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7-diacetyloxy-12-hydroxy-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
InChIKeyVKXXPYARELKQOY-CXFLVZIOSA-N
SMILESC[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OC(=O)C)C)OC(=O)C)O)C

Computed by PubChem (NCBI)

Synonyms: Methyl 3,7-di-O-acetylcholate, Methyl 3-alpha,7-alpha-diacetoxy-12-alpha-hydroxy-5-beta-cholan-24-oate, Methyl 3,7-bis(acetyloxy)-12-hydroxycholan-24-oate, Cholic Acid Methyl Ester 3,7-Diacetate, methyl 3alpha,7alpha-diacetoxy-12alpha-hydroxy-5beta-cholanate, Methyl 3alpha,7alpha-bis(acetyloxy)-12alpha-hydroxy-5beta-cholan-24-oate