生物智能计算平台

化合物信息

名称 内容
kegg编号 C15272
pubchemid 17396269
name 3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one diacetate
formula C25H38O5
structure
Isomeric_Smiles C1CN(CCN1C2=NC=CS2)S(=O)(=O)C3=C(C=CC(=C3)Br)Br
Cannoical_Smiles C1CN(CCN1C2=NC=CS2)S(=O)(=O)C3=C(C=CC(=C3)Br)Br
Gotenzyme_Smiles CC(=O)O[C@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@H](OC(C)=O)CC[C@]23C)[C@@H]2CC[C@H](C(C)=O)[C@@]12C