Methyl 3a,7a-Diacetoxy-12-oxo-5b-cholan-24-oate, >95% (HPLC)

cas: 28535-81-1 — see every product listed under this CAS number, including other names

Methyl 3a,7a-Diacetoxy-12-oxo-5b-cholan-24-oate, >95% (HPLC) (CAS 28535-81-1) is a chemical reagent available from Chemat. Available pack sizes: 50mg. Offered by: TRC.

brandTRC
catalog numberTRC-M303505-50MG
cas28535-81-1
size50mg
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properties

purity>95% (HPLC)
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

Methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-diacetyloxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate (CAS 28535-81-1) is a chemical compound with the molecular formula C29H44O7 and a molecular weight of 504.7 g/mol. IUPAC name: methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-diacetyloxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate. InChIKey: GVIZCQOBODPSLY-ZNYVGMLLSA-N.

Identity
Molecular formulaC29H44O7
Molecular weight504.7 g/mol
IUPAC namemethyl (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-diacetyloxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
InChIKeyGVIZCQOBODPSLY-ZNYVGMLLSA-N
SMILESC[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(C(=O)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)C

Computed by PubChem (NCBI)

Synonyms: Methyl 3alpha,7alpha-diacetoxy-12-oxo-5beta-cholanate, Methyl 3a,7a-Diacetoxy-12-oxo-5b-cholan-24-oate, Methyl 3alpha,7alpha-Diacetoxy-12-oxo-5beta-cholan-24-oate, Methyl 3-alpha,7-alpha-diacetoxy-12-oxo-5-beta-cholan-24-oate, GVIZCQOBODPSLY-ZNYVGMLLSA-N, Methyl 3|A,7|A-Diacetoxy-12-Oxo-5|A-Cholanate, Methyl 3alpha,7alpha-bis(acetyloxy)-12-oxo-5beta-cholan-24-oate, Methyl 3I+/-lpha,7alpha-diacetoxy-12-oxo-5beta-cholan-24-oate
Isomers (same molecular formula)
methyl (4R)-4-[(3R,5S,8R,9S,10S,12S,13R,14S,17R)-3,12-diacetyloxy-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 C29H44O7
3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one C29H44O7

Also listed as

Methyl 3a,7a-Diacetoxy-12-oxo-5ß-cholan-24-oate Chemat Brand CAS 28535-81-1
Methyl 3α,7α-Diacetoxy-12-oxo-5β-cholanate Chemat Brand CAS 28535-81-1
Methyl 3alpha,7alpha-Diacetoxy-12-oxo-5beta-cholan-24-oate, >95% (HPLC) TRC CAS 28535-81-1