HIT ID: HIT106383746
Cas No: 192818-49-8
分子式: C15H22O6
分子量: 298.335
常用名: Hydroheptelidic acid
氢键受体数 (HBA): 5
氢键供体数 (HBD): 3
LogP: 0.545
IUPAC: (2E)-3-[(3aS,4S,5R,7aS)-7a-hydroxy-3-oxo-5-(propan-2-yl)-octahydro-2-benzofuran-4-yl]-2-(hydroxymethyl)prop-2-enoic acid
IUPAC: (2E)-3-[(3aS,4S,5R,7aS)-7a-hydroxy-3-oxo-5-(propan-2-yl)-octahydro-2-benzofuran-4-yl]-2-(hydroxymethyl)prop-2-enoic acid
SMILES: CC(C)[C@H]1CC[C@@]2(O)COC(=O)[C@H]2[C@@H]1\C=C(/CO)C(O)=O
SMILES: CC(C)[C@H]1CC[C@@]2(O)COC(=O)[C@H]2[C@@H]1\C=C(/CO)C(O)=O
InChI key: WGNDRSIKIXVFLD-HXYHFMIISA-N
