Cumanin
HIT107219941
sdf文件结构编辑类似物检索
HIT ID: HIT107219941
Cas No: 6605-88-5
分子式: C15H22O4
分子量: 266.337
常用名: Cumanin
氢键受体数 (HBA): 3
氢键供体数 (HBD): 2
LogP: 1.4
IUPAC: (3aR,4aS,5R,6S,8S,9aR)-5,6-dihydroxy-4a,8-dimethyl-3-methylidene-dodecahydroazuleno[6,5-b]furan-2-one
IUPAC: (3aR,4aS,5R,6S,8S,9aR)-5,6-dihydroxy-4a,8-dimethyl-3-methylidene-dodecahydroazuleno[6,5-b]furan-2-one
SMILES: C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2C[C@]2(C)[C@@H](O)[C@@H](O)CC12
SMILES: C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2C[C@]2(C)[C@@H](O)[C@@H](O)CC12
InChI key: ZFCRHGITKWEXDY-ZJYMWTMGSA-N
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