Name: BDBM50597431
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT217566153
Cas No:1629853-49-1
常用名:BDBM50597431
IUPAC:(2R,5R)-5-[(1R,3aS,3bS,7S,9aR,9bS,11aR)-7-hydroxy-7,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-1,1,1-trifluoro-2-methylhexan-2-ol
IUPAC:(2R,5R)-5-[(1R,3aS,3bS,7S,9aR,9bS,11aR)-7-hydroxy-7,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-1,1,1-trifluoro-2-methylhexan-2-ol
InChI key:BVBRUQYHUXKZMQ-DTVVCMMRSA-N

分子式:C27H43F3O2
分子量:456.634
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@](C)(O)C(F)(F)F
SMILES:[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@](C)(O)C(F)(F)F

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