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育亨宾酸一水合物(Yohimbic acid hydrate)
育亨酸一水, MFCD00167087
CAS号: 207801-27-2
IUPAC名称: (1S,15R,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid;hydrate
分子式: C20H26N2O4
分子量: 358.43100
InChI: InChI=1S/C20H24N2O3.H2O/c23-17-6-5-11-10-22-8-7-13-12-3-1-2-4-15(12)21-19(13)16(22)9-14(11)18(17)20(24)25;/h1-4,11,14,16-18,21,23H,5-10H2,(H,24,25);1H2/t11-,14-,16-,17-,18+;/m0./s1
InChIKey: UXXCUDYYOMDFPX-GPRFVYSASA-N
SMILES: C1C[C@@H]([C@@H]([C@@H]2[C@@H]1CN3CCC4=C([C@@H]3C2)NC5=CC=CC=C45)C(=O)O)O.O
EINECS: 暂无
暂无数据
