6-Acetylnimbandiol
HIT218850789
sdf文件结构编辑类似物检索
HIT ID: HIT218850789
Cas No: 1281766-66-2
分子式: C28H34O8
分子量: 498.572
常用名: 6-Acetylnimbandiol
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: methyl 2-[(1S,2R,3S,4R,8R,9S,10R,13R,15R)-2-(acetyloxy)-13-(furan-3-yl)-4-hydroxy-4,8,10,12-tetramethyl-7-oxo-16-oxatetracyclo[8.6.0.0^{3,8}.0^{11,15}]hexadeca-5,11-dien-9-yl]acetate
IUPAC: methyl 2-[(1S,2R,3S,4R,8R,9S,10R,13R,15R)-2-(acetyloxy)-13-(furan-3-yl)-4-hydroxy-4,8,10,12-tetramethyl-7-oxo-16-oxatetracyclo[8.6.0.0^{3,8}.0^{11,15}]hexadeca-5,11-dien-9-yl]acetate
SMILES: [H][C@@]12C[C@H](C(C)=C1[C@@]1(C)[C@H](CC(=O)OC)[C@@]3(C)C(=O)C=C[C@@](C)(O)[C@]3([H])[C@@H](OC(C)=O)[C@@]1([H])O2)c1ccoc1
SMILES: [H][C@@]12C[C@H](C(C)=C1[C@@]1(C)[C@H](CC(=O)OC)[C@@]3(C)C(=O)C=C[C@@](C)(O)[C@]3([H])[C@@H](OC(C)=O)[C@@]1([H])O2)c1ccoc1
InChI key: PWFKLZWNGVGKBA-WETHXUPTSA-N
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