Name: Delgrandine
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218929478
Cas No:145237-05-4
常用名:Delgrandine
别名:翠雀花定
IUPAC:(1R,2R,3R,4S,5R,6R,7S,8S,9R,12S,13S,14R,17S,18S)-4,6,18-tris(acetyloxy)-13-(benzoyloxy)-7-formyl-17-hydroxy-7,10-dimethyl-15-methylidene-10-azahexacyclo[7.7.1.1^{2,14}.0^{1,12}.0^{3,8}.0^{3,11}]octadecan-5-yl benzoate
IUPAC:(1R,2R,3R,4S,5R,6R,7S,8S,9R,12S,13S,14R,17S,18S)-4,6,18-tris(acetyloxy)-13-(benzoyloxy)-7-formyl-17-hydroxy-7,10-dimethyl-15-methylidene-10-azahexacyclo[7.7.1.1^{2,14}.0^{1,12}.0^{3,8}.0^{3,11}]octadecan-5-yl benzoate
InChI key:XDDAEJYWWRYPIF-SRSHXNFDSA-N

分子式:C41H43NO12
分子量:741.79
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12[C@@H](O)[C@@]34CC(=C)[C@@]5([H])[C@@H](OC(=O)c6ccccc6)[C@]3([H])C(N1C)[C@]1([C@H](OC(C)=O)[C@@H](OC(=O)c3ccccc3)[C@H](OC(C)=O)[C@@](C)(C=O)[C@@]21[H])[C@]4([H])[C@@H]5OC(C)=O
SMILES:[H][C@@]12[C@@H](O)[C@@]34CC(=C)[C@@]5([H])[C@@H](OC(=O)c6ccccc6)[C@]3([H])C(N1C)[C@]1([C@H](OC(C)=O)[C@@H](OC(=O)c3ccccc3)[C@H](OC(C)=O)[C@@](C)(C=O)[C@@]21[H])[C@]4([H])[C@@H]5OC(C)=O

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