NCS
中国新化学物质查询
甘氨石胆酸乙酯(3ALPHA-HYDROXY-5BETA-CHOLAN-24-OIC ACID N-[CARBOXYMETHYL]AMIDE ETHYL ESTER)
Glycolithocholic acid ethyl ester, 3alpha-Hydroxy-5beta-cholan-24-oic acid N-(carboxymethyl)amide ethyl ester, 3|A-Hydroxy-5|A-cholan-24-oic acid N-(carboxymethyl)amide ethyl ester
CAS号: 100929-89-3
IUPAC名称: ethyl 2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-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]pentanoyl]amino]acetate
分子式: C28H47NO4
分子量: 461.67700
InChI: InChI=1S/C28H47NO4/c1-5-33-26(32)17-29-25(31)11-6-18(2)22-9-10-23-21-8-7-19-16-20(30)12-14-27(19,3)24(21)13-15-28(22,23)4/h18-24,30H,5-17H2,1-4H3,(H,29,31)/t18-,19-,20-,21+,22-,23+,24+,27+,28-/m1/s1
InChIKey: JRXQPFBKHYDFPV-CUYCEIPOSA-N
SMILES: CCOC(=O)CNC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C
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