Org-31710
HIT212713211
sdf文件结构编辑类似物检索
HIT ID: HIT212713211
Cas No: 118968-41-5
分子式: C30H39NO2
分子量: 445.647
常用名: Org-31710
氢键受体数 (HBA): 3
氢键供体数 (HBD): 0
LogP: 5.4047174
IUPAC: (1R,3aS,3bS,5R,10R,11aS)-10-[4-(dimethylamino)phenyl]-5,11a-dimethyl-2,3,3a,3b,4,5,7,8,9,10,11,11a-dodecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolan]-7-one
IUPAC: (1R,3aS,3bS,5R,10R,11aS)-10-[4-(dimethylamino)phenyl]-5,11a-dimethyl-2,3,3a,3b,4,5,7,8,9,10,11,11a-dodecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolan]-7-one
SMILES: [H][C@@]12CC[C@@]3(CCCO3)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3[C@H](C)C[C@@]21[H])c1ccc(cc1)N(C)C |c:15,21|
SMILES: [H][C@@]12CC[C@@]3(CCCO3)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3[C@H](C)C[C@@]21[H])c1ccc(cc1)N(C)C |c:15,21|
InChI key: HFDGABTZPISMDD-IEVXGSBISA-N
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