Name: Phyperunolide E
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214316110
Cas No:1198400-52-0
常用名:Phyperunolide E
IUPAC:(1S,2R,5S,6S,7R,9R,11R,12R,15S,16S)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-1-hydroxyethyl]-5,6,12,15-tetrahydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.0^{2,7}.0^{7,9}.0^{12,16}]octadecan-3-one
IUPAC:(1S,2R,5S,6S,7R,9R,11R,12R,15S,16S)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-1-hydroxyethyl]-5,6,12,15-tetrahydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.0^{2,7}.0^{7,9}.0^{12,16}]octadecan-3-one
InChI key:AKXPZRHYDOQYLZ-WQYKXGBASA-N

分子式:C28H40O9
分子量:520.619
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12C[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3(O)CC[C@@]4(O)[C@@](C)(O)[C@@]3([H])CC(C)=C(C)C(=O)O3)[C@@]3(C)C(=O)C[C@H](O)[C@H](O)[C@@]13O2 |t:26|
SMILES:[H][C@@]12C[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3(O)CC[C@@]4(O)[C@@](C)(O)[C@@]3([H])CC(C)=C(C)C(=O)O3)[C@@]3(C)C(=O)C[C@H](O)[C@H](O)[C@@]13O2 |t:26|

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