Cholesterylaniline
HIT218721233
sdf文件结构编辑类似物检索
HIT ID: HIT218721233
Cas No: 7510-04-5
分子式: C33H51N
分子量: 461.778
常用名: Cholesterylaniline
氢键受体数 (HBA): 0
氢键供体数 (HBD): 1
LogP: 13.57
IUPAC: N-[(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]aniline
IUPAC: N-[(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]aniline
SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)Nc1ccccc1)[C@H](C)CCCC(C)C
SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)Nc1ccccc1)[C@H](C)CCCC(C)C
InChI key: QLUKVXBTMCXYMC-IVFUUCCDSA-N
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