6-Epidemethylesquirolin D
HIT214315638
sdf文件结构编辑类似物检索
HIT ID: HIT214315638
Cas No: 165074-00-0
分子式: C20H28O5
分子量: 348.439
常用名: 6-Epidemethylesquirolin D
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,8R,9R,10S,15S)-11,11-dimethyl-5-(propan-2-yl)-16-oxatetracyclo[6.6.2.0^{1,10}.0^{2,7}]hexadeca-2(7),3,5-triene-3,4,9,15-tetrol
IUPAC: (1R,8R,9R,10S,15S)-11,11-dimethyl-5-(propan-2-yl)-16-oxatetracyclo[6.6.2.0^{1,10}.0^{2,7}]hexadeca-2(7),3,5-triene-3,4,9,15-tetrol
SMILES: [H][C@@]12[C@@H](O)[C@@H]3O[C@H](O)[C@@]1(CCCC2(C)C)c1c(O)c(O)c(cc31)C(C)C |THB:7:6:15.22:2.1|
SMILES: [H][C@@]12[C@@H](O)[C@@H]3O[C@H](O)[C@@]1(CCCC2(C)C)c1c(O)c(O)c(cc31)C(C)C |THB:7:6:15.22:2.1|
InChI key: BIRAIVMEZFVLJK-STEXWYFWSA-N
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