Methyl 3,7-di-O-acetylcholate

Name: Methyl 3,7-di-O-acetylcholate
Brand: CoreyChem
SKU: CAS:3749-87-9
Price: Contact for pricing USD
Availability: InStock

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

Also Known As: Methyl 3,7-di-O-acetylcholate|EINECS 223-151-6|Cholic Acid Methyl Ester 3,7-Diacetate|Methyl 3-alpha,7-alpha-diacetoxy-12-alpha-hydroxy-5-beta-cholan-24-oate|EC 223-151-6|Methyl 3,7-bis(acetyloxy)-12-hydroxycholan-24-oate|CHOLIC ACID, METHYL ESTER, 3,7-DIACETATE|methyl 3|A,7|A-diacetoxy-12|A-hydroxy cholanate|doi:10.14272/VKXXPYARELKQOY-CXFLVZIOSA-N.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|Methyl 3|A,7|A-diacetoxy-12|A-hydroxy-5|A-cholan-24-oate|methyl 3alpha,7alpha-diacetoxy-12alpha-hydroxy-5beta-cholanate|Cholan-24-oic acid, 3,7-bis(acetyloxy)-12-hydroxy-, methyl ester, (3.alpha.,5.beta.,7.alpha.,12.alpha.)-|Methyl 3alpha,7alpha-bis(acetyloxy)-12alpha-hydroxy-5beta-cholan-24-oate|methyl(3|A,5|A,7|A,8xi,12|A)-3,7-diacetoxy-12-hydroxycholan-24-oate|3alpha,7alpha-Bis(acetyloxy)-12alpha-hydroxy-5beta-cholan-24-oic acid methyl ester|3alpha,7alpha-Diacetoxy-12alpha-hydroxy-5beta-cholan-24-oic acid methyl ester|(3alpha,5beta,7alpha,12alpha)-3,7-Bis(acetyloxy)-12-hydroxy-cholan-24-oic Acid Methyl Ester; Cholic Acid Methyl Ester 3,7-Diacetate; 3alpha,7alpha-Diacetoxy-12alpha-hydroxy-5beta-cholan-24-oic Acid Methyl Ester|3.ALPHA.,7.ALPHA.-DIACETOXY-12.ALPHA.-HYDROXY-5.BETA.-CHOLAN-24-OIC ACID METHYL ESTER|methyl (4R)-4-[(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11S,11aR)-4,7-bis(acetyloxy)-11-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoate

CAS: 3749-87-9

Molecular Formula	`C29H46O7`
Molecular Weight	506.32434 g/mol
LogP	4.68
Topological Polar Surface Area	99.13 Å²
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	506.32434
Heavy Atoms	36
Complexity	856.6

Chemical Identifiers

CAS Number	3749-87-9
SMILES	`C[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`

Product Overview

Methyl 3,7-di-O-acetylcholate (CAS 3749-87-9), with molecular formula C29H46O7 and molecular weight 506.32434 g/mol. IUPAC: 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.

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