Chenodeoxycholic Acid Diacetate Methyl Ester

Chenodeoxycholic Acid Diacetate Methyl Ester

• Synonyms: Chenodeoxycholic Acid Diacetate Methyl Ester; Cholan-24-oic acid, 3,7-bis(acetyloxy)-, methyl ester, (3α,5β,7α)-; 5β-Cholan-24-oic acid, 3α,7α-dihydroxy-, methyl ester, diacetate (8CI); 5β-Cholanic acid, 3α,7α-dihydroxy-, methyl ester, diacetate (6CI,7CI); Chenodeoxycholic acid diacetate methyl ester
• CAS Number: 2616-71-9
• Hazard Statement: No Data Available
• 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[C@]12C)OC(=O)C)OC(=O)C
• Molecular Formula: C29 H46 O6
• Molecular Weight: 490.672
• InChI: InChI=1S/C29H46O6/c1-17(7-10-26(32)33-6)22-8-9-23-27-24(12-14-29(22,23)5)28(4)13-11-21(34-18(2)30)15-20(28)16-25(27)35-19(3)31/h17,20-25,27H,7-16H2,1-6H3/t17-,20+,21-,22-,23+,24+,25-,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-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
• Shipping Conditions: Room Temperature