4,5-Dihydroblumenol A
HIT213886560
sdf文件结构编辑类似物检索
HIT ID: HIT213886560
Cas No: 155418-97-6
分子式: C13H22O3
分子量: 226.316
常用名: 4,5-Dihydroblumenol A
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (4S,5R)-4-hydroxy-4-[(1E,3R)-3-hydroxybut-1-en-1-yl]-3,3,5-trimethylcyclohexan-1-one
IUPAC: (4S,5R)-4-hydroxy-4-[(1E,3R)-3-hydroxybut-1-en-1-yl]-3,3,5-trimethylcyclohexan-1-one
SMILES: C[C@@H](O)\C=C\[C@@]1(O)[C@H](C)CC(=O)CC1(C)C
SMILES: C[C@@H](O)\C=C\[C@@]1(O)[C@H](C)CC(=O)CC1(C)C
InChI key: IHDJYDVWNNFPHR-CHESLIBASA-N
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