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中国新化学物质查询
3Alpha,7Alpha-二乙酰氧基-5β-胆烷-24-酸甲基酯(Chenodeoxycholic acid diacetate methyl ester)
3-Alpha,7alpha-二乙酰氧基-5beta-24-胆烷酸甲酯, 3alpha,7alpha-Diacetoxy-5beta-cholan-24-oic acid methyl ester, 3|A,7|A-Diacetoxy-5|A-cholan-24-oic acid methyl ester, methyl (4R)-4-((1S,2S,7S,11S,5R,9R,10R,14R,15R)-5,9-diacetyloxy-2,15-dimethylt etracyclo[8.7.0.0, Chenodeoxycholic acid diacetate methyl ester, methyl di-O-acetylchenodeoxycholate, chenodeoxycholic acid diacetate
CAS号: 2616-71-9
IUPAC名称: 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
分子式: C29H46O6
分子量: 490.67200
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
InChIKey: ZKHVKSAMEUAGEN-JSWGAMEVSA-N
SMILES: C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[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
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