Name: Wilforlide A acetate
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214316262
Cas No:84104-80-3
常用名:Wilforlide A acetate
IUPAC:(1S,2R,5S,6R,9R,11S,14R,15R,19S,21S)-2,5,6,10,10,14,21-heptamethyl-22-oxo-23-oxahexacyclo[19.2.1.0^{2,19}.0^{5,18}.0^{6,15}.0^{9,14}]tetracos-17-en-11-yl acetate
IUPAC:(1S,2R,5S,6R,9R,11S,14R,15R,19S,21S)-2,5,6,10,10,14,21-heptamethyl-22-oxo-23-oxahexacyclo[19.2.1.0^{2,19}.0^{5,18}.0^{6,15}.0^{9,14}]tetracos-17-en-11-yl acetate
InChI key:KCKCIDCRXAOGCM-KXWOPETLSA-N

分子式:C32H48O4
分子量:496.732
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12C[C@](C)(C[C@@]3([H])C4=CC[C@]5([H])[C@@]6(C)CC[C@H](OC(C)=O)C(C)(C)[C@]6([H])CC[C@@]5(C)[C@]4(C)CC[C@@]13C)C(=O)O2 |t:8,TLB:8:6:2:39.37,34:35:2:39.37,THB:36:35:2:39.37|
SMILES:[H][C@]12C[C@](C)(C[C@@]3([H])C4=CC[C@]5([H])[C@@]6(C)CC[C@H](OC(C)=O)C(C)(C)[C@]6([H])CC[C@@]5(C)[C@]4(C)CC[C@@]13C)C(=O)O2 |t:8,TLB:8:6:2:39.37,34:35:2:39.37,THB:36:35:2:39.37|

Wilforlide A (T1) serves as a quality control standard of Tripterygium Glycosides that be listed in Drug Standard of Ministry of Public Health of the People's Republic of China. T1 has anti-inflammatory effects.

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