Name: Cortodoxone
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT106892261
Cas No:152-58-9
常用名:Cortodoxone
别名:可托多松, Reichstein's substance S, cortexolone, 17α,21-dihydroxyprogesterone, 11-脱氧皮质醇, 11-Desoxycortisol, 11-Deoxycortisol
别名:可托多松, Reichstein's substance S, cortexolone, 17α,21-dihydroxyprogesterone, 11-脱氧皮质醇, 11-Desoxycortisol, 11-Deoxycortisol
IUPAC:(1R,3aS,3bR,9aR,9bS,11aS)-1-hydroxy-1-(2-hydroxyacetyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
IUPAC:(1R,3aS,3bR,9aR,9bS,11aS)-1-hydroxy-1-(2-hydroxyacetyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
InChI key:WHBHBVVOGNECLV-OBQKJFGGSA-N

分子式:C21H30O4
分子量:346.467
氢键供体数 (HBD):2
氢键受体数 (HBA):4
LogP:2.814000000000000e+000
SMILES:C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO |t:8|
SMILES:C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO |t:8|

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