Withaphysalin D
HIT218850838
sdf文件结构编辑类似物检索
HIT ID: HIT218850838
Cas No: 91599-21-2
分子式: C28H34O6
分子量: 466.574
常用名: Withaphysalin D
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,2R,5S,6R,9S,12S,13R)-6-[(2R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-2-hydroxy-6,13-dimethyl-7-oxapentacyclo[10.8.0.0^{2,9}.0^{5,9}.0^{13,18}]icosa-16,18-diene-8,14-dione
IUPAC: (1R,2R,5S,6R,9S,12S,13R)-6-[(2R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-2-hydroxy-6,13-dimethyl-7-oxapentacyclo[10.8.0.0^{2,9}.0^{5,9}.0^{13,18}]icosa-16,18-diene-8,14-dione
SMILES: [H][C@]12CC[C@@]3(O)[C@]4([H])CC=C5C=CCC(=O)[C@]5(C)[C@@]4([H])CC[C@]13C(=O)O[C@@]2(C)[C@@]1([H])CC(C)=C(C)C(=O)O1
SMILES: [H][C@]12CC[C@@]3(O)[C@]4([H])CC=C5C=CCC(=O)[C@]5(C)[C@@]4([H])CC[C@]13C(=O)O[C@@]2(C)[C@@]1([H])CC(C)=C(C)C(=O)O1
InChI key: LNINXSFPCHLADE-UENQGIQXSA-N
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