Name: (1R,3aR,5S,5aR,7R,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl](5,5a,8,9-2H4)-1H,2H,3H,3aH,5H,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-ol
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类似物检索

HIT ID:HIT221058536
Cas No:
常用名:(1R,3aR,5S,5aR,7R,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl](5,5a,8,9-2H4)-1H,2H,3H,3aH,5H,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-ol
常用名:(1R,3aR,5S,5aR,7R,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl](5,5a,8,9-2H4)-1H,2H,3H,3aH,5H,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-ol
IUPAC:(1R,3aR,5S,5aR,7R,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl](5,5a,8,9-2H4)-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol
IUPAC:(1R,3aR,5S,5aR,7R,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl](5,5a,8,9-2H4)-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol
InChI key:InChIKey=IZVFFXVYBHFIHY-TUUILBKQSA-N

分子式:C27H46O
分子量:390.688
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1(CC[C@@]2([H])C3=C[C@H]([2H])[C@@]4([2H])C[C@@H](O)C([2H])C([2H])[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C
SMILES:[H][C@@]1(CC[C@@]2([H])C3=C[C@H]([2H])[C@@]4([2H])C[C@@H](O)C([2H])C([2H])[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C

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