Compound 1080-0561
HIT106678112
sdf文件结构编辑类似物检索
HIT ID: HIT106678112
Cas No:
分子式: C31H46O2
分子量: 450.707
常用名: Compound 1080-0561
氢键受体数 (HBA): 2
氢键供体数 (HBD): 2
LogP: 8.37
IUPAC: 1-(5-hydroxy-5-phenylhexan-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol
IUPAC: 1-(5-hydroxy-5-phenylhexan-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol
SMILES: CC(CCC(C)(O)c1ccccc1)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C |t:20|
SMILES: CC(CCC(C)(O)c1ccccc1)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C |t:20|
InChI key: YTYFNWLHEUUCIW-UHFFFAOYSA-N
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