Effusanin B
HIT214315859
sdf文件结构编辑类似物检索
HIT ID: HIT214315859
Cas No: 76470-16-1
分子式: C22H30O6
分子量: 390.476
常用名: Effusanin B
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S,2S,5R,8S,9S,10S,11R,15S)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.1^{5,8}.0^{1,11}.0^{2,8}]octadecan-15-yl acetate
IUPAC: (1S,2S,5R,8S,9S,10S,11R,15S)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.1^{5,8}.0^{1,11}.0^{2,8}]octadecan-15-yl acetate
SMILES: [H][C@@]12C[C@@]3(C(=O)C1=C)[C@@]([H])(CC2)[C@@]12CO[C@]3(O)[C@@H](O)[C@]1([H])C(C)(C)CC[C@@H]2OC(C)=O
SMILES: [H][C@@]12C[C@@]3(C(=O)C1=C)[C@@]([H])(CC2)[C@@]12CO[C@]3(O)[C@@H](O)[C@]1([H])C(C)(C)CC[C@@H]2OC(C)=O
InChI key: TZECSBJPAFKEQJ-FHEFCECDSA-N
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