GHS
GHS Classification Search
GLYCODEOXYCHOLIC ACID
甘氨去氧胆酸
,
甘氨脱氧胆酸一水合物, Glycodeoxycholic acid monohydrate, Glycodeoxycholic acid, MFCD00150922
CAS Number: 360-65-6
IUPAC name: 2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-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]acetic acid
Molecular formula: C26H45NO6
Molecular weight: 467.63900
InChI: InChI=1S/C26H43NO5/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17-,18+,19-,20+,21+,22+,25+,26-/m1/s1
InChIKey: WVULKSPCQVQLCU-BUXLTGKBSA-N
SMILES: -
EINECS: C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
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