Name: 11-Deoxyalisol B
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214314444
Cas No:155073-73-7
常用名:11-Deoxyalisol B
别名:11-去氧泽泻醇B
IUPAC:(3aR,3bS,5aR,9aR,9bS)-1-[(2R,4S)-4-[(2R)-3,3-dimethyloxiran-2-yl]-4-hydroxybutan-2-yl]-3a,3b,6,6,9a-pentamethyl-2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H-cyclopenta[a]phenanthren-7-one
IUPAC:(3aR,3bS,5aR,9aR,9bS)-1-[(2R,4S)-4-[(2R)-3,3-dimethyloxiran-2-yl]-4-hydroxybutan-2-yl]-3a,3b,6,6,9a-pentamethyl-2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H-cyclopenta[a]phenanthren-7-one
InChI key:FRARORPBMYOKKW-DNRQRXMOSA-N

分子式:C30H48O3
分子量:456.711
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1(OC1(C)C)[C@@H](O)C[C@@H](C)C1=C2CC[C@@]3([H])[C@@]4(C)CCC(=O)C(C)(C)[C@]4([H])CC[C@]3(C)[C@@]2(C)CC1 |c:12|
SMILES:[H][C@@]1(OC1(C)C)[C@@H](O)C[C@@H](C)C1=C2CC[C@@]3([H])[C@@]4(C)CCC(=O)C(C)(C)[C@]4([H])CC[C@]3(C)[C@@]2(C)CC1 |c:12|

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