4beta-Hydroxywithanolide E
HIT214315622
sdf文件结构编辑类似物检索
HIT ID: HIT214315622
Cas No: 54334-04-2
分子式: C28H38O8
分子量: 502.604
常用名: 4beta-Hydroxywithanolide E
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S,2R,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]-6,12,15-trihydroxy-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,11R,12R,15S,16S)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-1-hydroxyethyl]-6,12,15-trihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.0^{2,7}.0^{7,9}.0^{12,16}]octadec-4-en-3-one
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[C@H](O)[C@@]13O2 |c:37,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[C@H](O)[C@@]13O2 |c:37,t:26|
InChI key: UPBUGICUKQIKTJ-KABTZXSUSA-N
共显示3个结果
供应商规格单价货期纯度操作
TargetMol
SC
待询35日内发货点击询价
AnyMole
SC
4250 购物车
Mcule
SC
69254-5周 购物车
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