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胆酸-D4
Cholic Acid-d4
(3α,5β,7α,12α)-3,7,12-Trihydroxy(2,2,4,4-H)cholan-24-oic acid, Cholan-24-oic-2,2,4,4-d acid, 3,7,12-trihydroxy-, (3α,5β,7α,12α)-, 2,2,4,4-2H cholic acid, 2,2,4,4,7,7,9,9-Octamethyl-3,8-dioxa-2,4,7,9-tetrasila-decan
CAS号: 116380-66-6
IUPAC名称: (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,7,12-trihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
分子式: C24H36D4O5
分子量: 412.596
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/i8D2,10D2
InChIKey: BHQCQFFYRZLCQQ-YFEOEUIKSA-N
SMILES: [2H]C1(C[C@@]2([C@H]3C[C@@H]([C@]4([C@H]([C@@H]3[C@@H](C[C@@H]2C([C@@H]1O)([2H])[2H])O)CC[C@@H]4[C@H](C)CCC(=O)O)C)O)C)[2H]
EINECS: -
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