Name: Bakkenolide Db
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214315728
Cas No:226711-23-5
常用名:Bakkenolide Db
IUPAC:(1R,2R,3aR,4S,7S,7aR)-1-(acetyloxy)-3a,4-dimethyl-4'-methylidene-2'-oxo-octahydrospiro[indene-2,3'-oxolan]-7-yl (2Z)-3-methanesulfinylprop-2-enoate
IUPAC:(1R,2R,3aR,4S,7S,7aR)-1-(acetyloxy)-3a,4-dimethyl-4'-methylidene-2'-oxo-octahydrospiro[indene-2,3'-oxolan]-7-yl (2Z)-3-methanesulfinylprop-2-enoate
InChI key:NOBDIGGORMPBLK-ZNMPJFDOSA-N

分子式:C21H28O7S
分子量:424.51
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12[C@@H](OC(C)=O)[C@@]3(C[C@]1(C)[C@@H](C)CC[C@@H]2OC(=O)\C=C/S(C)=O)C(=C)COC3=O
SMILES:[H][C@@]12[C@@H](OC(C)=O)[C@@]3(C[C@]1(C)[C@@H](C)CC[C@@H]2OC(=O)\C=C/S(C)=O)C(=C)COC3=O

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