Name: Beclomethasone-d5
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT217661915
Cas No:
常用名:Beclomethasone-d5
IUPAC:(1R,2S,3aS,3bS,9aS,9bR,10S,11aS)-9b-chloro-1,10-dihydroxy-1-[2-hydroxy(2,2-2H2)acetyl]-2,9a,11a-trimethyl(5,5,6-2H3)-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
IUPAC:(1R,2S,3aS,3bS,9aS,9bR,10S,11aS)-9b-chloro-1,10-dihydroxy-1-[2-hydroxy(2,2-2H2)acetyl]-2,9a,11a-trimethyl(5,5,6-2H3)-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
InChI key:NBMKJKDGKREAPL-PAEDUFRWSA-N

分子式:C22H29ClO5
分子量:413.95
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4C[C@H](C)[C@](O)(C(=O)C([2H])([2H])O)[C@@]4(C)C[C@H](O)[C@]3(Cl)[C@@]2(C)C=CC1=O
SMILES:[2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4C[C@H](C)[C@](O)(C(=O)C([2H])([2H])O)[C@@]4(C)C[C@H](O)[C@]3(Cl)[C@@]2(C)C=CC1=O

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