Pseudolaric Acid C
HIT212664714
sdf文件结构编辑类似物检索
HIT ID: HIT212664714
Cas No: 82601-41-0
分子式: C21H26O7
分子量: 390.432
常用名: Pseudolaric Acid C
氢键受体数 (HBA): 5
氢键供体数 (HBD): 2
LogP: 2.5064814
IUPAC: (2E,4E)-5-[(1R,7S,8R,9R)-7-hydroxy-4-(methoxycarbonyl)-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0^{1,7}]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoic acid
IUPAC: (2E,4E)-5-[(1R,7S,8R,9R)-7-hydroxy-4-(methoxycarbonyl)-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0^{1,7}]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoic acid
SMILES: COC(=O)C1=CC[C@]23CC[C@H]([C@@]2(O)CC1)[C@](C)(OC3=O)\C=C\C=C(/C)C(O)=O |t:4|
SMILES: COC(=O)C1=CC[C@]23CC[C@H]([C@@]2(O)CC1)[C@](C)(OC3=O)\C=C\C=C(/C)C(O)=O |t:4|
InChI key: RBXVTEUAOTYIME-GPGKBOPFSA-N
共显示2个结果
供应商规格单价货期纯度操作
TargetMol
SC
2971-3天 购物车
Mcule
SC
9974-5周 购物车
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