NCS
中国新化学物质查询
胆酸-13C(Cholic acid-13C)
<24-13C>-Cholsaeure, <24-13C>-Chenodeoxycholsaeure, (3α,5β,7α,12β)-3,7,12-Trihydroxy(24-C)cholan-24-oic acid, Cholan-24-oic-24-C acid, 3,7,12-trihydroxy-, (3α,5β,7α,12β)-, Cholan-24-oic-24-C acid, 3,7,12-trihydroxy-, (3α,5β,7α,12α)-, (3α,5β,7α,12α)-3,7,12-Trihydroxy(24-C)cholan-24-oic acid
CAS号: 52886-36-9
IUPAC名称: (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,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](113C)pentanoic acid
分子式: C24H40O5
分子量: 409.564
InChI: InChI=1S/C24H40O5/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)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1/i21+1
InChIKey: BHQCQFFYRZLCQQ-HFINQHRVSA-N
SMILES: C[C@H](CC[13C](=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
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