Name: Odonicin
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214316087
Cas No:51419-51-3
常用名:Odonicin
IUPAC:(1S,2S,5R,7R,8S,9S,10S,11R)-10-(acetyloxy)-9-hydroxy-12,12-dimethyl-6-methylidene-15-oxo-17-oxapentacyclo[7.6.2.1^{5,8}.0^{1,11}.0^{2,8}]octadec-13-en-7-yl acetate
IUPAC:(1S,2S,5R,7R,8S,9S,10S,11R)-10-(acetyloxy)-9-hydroxy-12,12-dimethyl-6-methylidene-15-oxo-17-oxapentacyclo[7.6.2.1^{5,8}.0^{1,11}.0^{2,8}]octadec-13-en-7-yl acetate
InChI key:VIZWMBLJPXPZSQ-CMJIRCKQSA-N

分子式:C24H30O7
分子量:430.497
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12C[C@@]3([C@H](OC(C)=O)C1=C)[C@@]([H])(CC2)[C@@]12CO[C@]3(O)[C@@H](OC(C)=O)[C@]1([H])C(C)(C)C=CC2=O |c:34|
SMILES:[H][C@@]12C[C@@]3([C@H](OC(C)=O)C1=C)[C@@]([H])(CC2)[C@@]12CO[C@]3(O)[C@@H](OC(C)=O)[C@]1([H])C(C)(C)C=CC2=O |c:34|

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