NCS
中国新化学物质查询
猪胆酸(Hyocholic Acid)
3Alpha,6Alpha,7Alpha-Trihydroxy-5Beta-cholanic Acid, Hyocholic Acid, Cholan-24-oic acid, 3,6,7-trihydroxy-, (3α,5β,6α,7α)-, (3α,5β,6α,7α)-3,6,7-Trihydroxycholan-24-oic acid, 3a,6a,7a-Trihydroxy-5b-cholan-24-oic acid
CAS号: 547-75-1
IUPAC名称: (4R)-4-[(3R,5R,6R,7S,8S,9S,10R,13R,14S,17R)-3,6,7-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]pentanoic acid
分子式: C24H40O5
分子量: 408.571
InChI: InChI=1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17+,18+,20+,21-,22+,23-,24-/m1/s1
InChIKey: DKPMWHFRUGMUKF-KWXDGCAGSA-N
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H]([C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
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