Helenalin
HIT212671878
sdf文件结构编辑类似物检索
HIT ID: HIT212671878
Cas No: 6754-13-8
分子式: C15H18O4
分子量: 262.305
常用名: Helenalin
氢键受体数 (HBA): 3
氢键供体数 (HBD): 1
LogP: 1.8469069
IUPAC: (3aS,4S,4aR,7aR,8R,9aR)-4-hydroxy-4a,8-dimethyl-3-methylidene-2H,3H,3aH,4H,4aH,5H,7aH,8H,9H,9aH-azuleno[6,5-b]furan-2,5-dione
IUPAC: (3aS,4S,4aR,7aR,8R,9aR)-4-hydroxy-4a,8-dimethyl-3-methylidene-2H,3H,3aH,4H,4aH,5H,7aH,8H,9H,9aH-azuleno[6,5-b]furan-2,5-dione
SMILES: [H][C@@]12C[C@@H](C)[C@]3([H])C=CC(=O)[C@@]3(C)[C@@H](O)[C@]1([H])C(=C)C(=O)O2 |c:7|
SMILES: [H][C@@]12C[C@@H](C)[C@]3([H])C=CC(=O)[C@@]3(C)[C@@H](O)[C@]1([H])C(=C)C(=O)O2 |c:7|
InChI key: ZVLOPMNVFLSSAA-XEPQRQSNSA-N
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