14-Deoxy-11-oxoandrographolide
HIT212687482
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HIT ID: HIT212687482
Cas No: 42895-57-8
分子式: C20H28O5
分子量: 348.439
常用名: 14-Deoxy-11-oxoandrographolide
氢键受体数 (HBA): 4
氢键供体数 (HBD): 2
LogP: 1.8139747
IUPAC: 3-{2-[(1R,4aS,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-decahydronaphthalen-1-yl]-2-oxoethyl}-2,5-dihydrofuran-2-one
IUPAC: 3-{2-[(1R,4aS,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-decahydronaphthalen-1-yl]-2-oxoethyl}-2,5-dihydrofuran-2-one
SMILES: C[C@@]1(CO)[C@H](O)CC[C@]2(C)[C@@H]1CCC(=C)[C@H]2C(=O)CC1=CCOC1=O |t:21|
SMILES: C[C@@]1(CO)[C@H](O)CC[C@]2(C)[C@@H]1CCC(=C)[C@H]2C(=O)CC1=CCOC1=O |t:21|
InChI key: WZHWNAKOQGIEEB-NDLGOLERSA-N
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