HIT ID: HIT214316906
Cas No: 476682-97-0
分子式: C13H22O4
分子量: 242.315
常用名: 6,9,10-Trihydroxy-7-megastigmen-3-one
常用名: 6,9,10-Trihydroxy-7-megastigmen-3-one
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (4S,5R)-4-[(1E,3R)-3,4-dihydroxybut-1-en-1-yl]-4-hydroxy-3,3,5-trimethylcyclohexan-1-one
IUPAC: (4S,5R)-4-[(1E,3R)-3,4-dihydroxybut-1-en-1-yl]-4-hydroxy-3,3,5-trimethylcyclohexan-1-one
SMILES: C[C@@H]1CC(=O)CC(C)(C)[C@@]1(O)\C=C\[C@@H](O)CO
SMILES: C[C@@H]1CC(=O)CC(C)(C)[C@@]1(O)\C=C\[C@@H](O)CO
InChI key: NPIIJTPCHBVBJO-QRWGQXJOSA-N