Name: Estredox
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214318396
Cas No:103562-82-9
常用名:Estredox
别名:IDR-90104, IDR 90104, E-2-CDS, E-2CDS, E2 CDS, E 2CDS
别名:IDR-90104, IDR 90104, E-2-CDS, E-2CDS, E2 CDS, E 2CDS
IUPAC:(1S,3aS,3bR,9bS,11aS)-7-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl 1-methyl-1,4-dihydropyridine-3-carboxylate
IUPAC:(1S,3aS,3bR,9bS,11aS)-7-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl 1-methyl-1,4-dihydropyridine-3-carboxylate
InChI key:KTMLJZFJHDUEAU-BZDYCCQFSA-N

分子式:C25H31NO3
分子量:393.527
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CC[C@H](OC(=O)C3=CN(C)C=CC3)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |c:12,t:8|
SMILES:[H][C@@]12CC[C@H](OC(=O)C3=CN(C)C=CC3)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |c:12,t:8|

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