Methyl 3alpha,7alpha-Diacetoxy-12-oxo-5beta-cholan-24-oate

Methyl 3alpha,7alpha-Diacetoxy-12-oxo-5beta-cholan-24-oate

• Synonyms: Cholan-24-oic acid, 3,7-bis(acetyloxy)-12-oxo-, methyl ester, (3α,5β,7α)-; 5β-Cholan-24-oic acid, 3α,7α-dihydroxy-12-oxo-, methyl ester, diacetate (8CI); 5β-Cholanic acid, 3α,7α-dihydroxy-12-oxo-, methyl ester, diacetate (6CI,7CI); 3α,7α-Diacetoxy-12-oxo-5β-cholan-24-oic acid methyl ester; Methyl 3α,7α-diacetoxy-12-oxo-5β-cholan-24-oate; Methyl 3α,7α-diacetoxy-12-oxo-5β-cholanate
• CAS Number: 28535-81-1
• Hazard Statement: Harmful if swallowed.
• Purity: >95% (HPLC)
• Smiles: COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC(=O)[C@]12C)OC(=O)C)OC(=O)C
• Molecular Formula: C29 H44 O7
• Molecular Weight: 504.66
• InChI: InChI=1S/C29H44O7/c1-16(7-10-26(33)34-6)21-8-9-22-27-23(15-25(32)29(21,22)5)28(4)12-11-20(35-17(2)30)13-19(28)14-24(27)36-18(3)31/h16,19-24,27H,7-15H2,1-6H3/t16-,19+,20-,21-,22+,23+,24-,27+,28+,29-/m1/s1
• Additionnal Information: 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
• Shipping Conditions: Room Temperature
• Storage Conditions: -20°C