WITHAFERIN A
HIT212652323
sdf文件结构编辑类似物检索
HIT ID: HIT212652323
Cas No: 5119-48-2
分子式: C28H38O6
分子量: 470.606
常用名: WITHAFERIN A
氢键受体数 (HBA): 5
氢键供体数 (HBD): 2
LogP: 3.581974
IUPAC: (1S,2R,6S,7R,9R,11S,12S,15R,16S)-6-hydroxy-15-[(1S)-1-[(2R)-5-(hydroxymethyl)-4-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.0^{2,7}.0^{7,9}.0^{12,16}]octadec-4-en-3-one
IUPAC: (1S,2R,6S,7R,9R,11S,12S,15R,16S)-6-hydroxy-15-[(1S)-1-[(2R)-5-(hydroxymethyl)-4-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.0^{2,7}.0^{7,9}.0^{12,16}]octadec-4-en-3-one
SMILES: C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)C=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CO)C(=O)O1
SMILES: C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)C=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CO)C(=O)O1
InChI key: DBRXOUCRJQVYJQ-CKNDUULBSA-N
共显示3个结果
供应商规格单价货期纯度操作
TargetMol
SC
10201-3天 购物车
AA Blocks
BB
-3-5周点击询价
Apollo
BB
29173-5周 购物车
TargetMol | Target Loading
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