NCS
中国新化学物质查询
3号胆盐
Bile salt NO.3
胆盐3号, CHOLIC ACID SODIUM SALT: HYDRATE, Bile salt No. 3, CHOLALIC ACID SODIUM SALT HYDRATE, CHOLIC ACID SODIUM SALT pure, cholic acid sodium hydrate, 3ALPHA,7ALPHA,12ALPHA-TRIHYDROXY-5BETA-CHOLAN-24-OIC ACID SODIUM SALT,HYDRATE, Cholicacid,sodiumsalt,monohydrate, SODIUM CHOLATE MONOHYDRATE,PURIFIED
CAS号: 73163-53-8
IUPAC名称: sodium;(4R)-4-[(3R,5S,7R,10S,12S,13R,17R)-3,7,12-trihydroxy-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;hydrate
分子式: C24H41NaO6
分子量: 448.56900
InChI: InChI=1S/C24H40O5.Na.H2O/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;;/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29);;1H2/q;+1;/p-1/t13-,14+,15-,16-,17?,18?,19-,20+,22?,23+,24-;;/m1../s1
InChIKey: MUVVIYFKOVLQHL-IGYKRIKKSA-M
SMILES: C[C@H](CCC(=O)[O-])[C@H]1CCC2[C@@]1([C@H](CC3C2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C.O.[Na+]
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