Name: Dehydrobruceantinol
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214315821
Cas No:99132-99-7
常用名:Dehydrobruceantinol
IUPAC:methyl (1R,2S,3R,6R,13S,14R,15R,16S,17S)-3-{[(2E)-4-(acetyloxy)-3,4-dimethylpent-2-enoyl]oxy}-11,15,16-trihydroxy-9,13-dimethyl-4,10-dioxo-5,18-dioxapentacyclo[12.5.0.0^{1,6}.0^{2,17}.0^{8,13}]nonadeca-8,11-diene-17-carboxylate
IUPAC:methyl (1R,2S,3R,6R,13S,14R,15R,16S,17S)-3-{[(2E)-4-(acetyloxy)-3,4-dimethylpent-2-enoyl]oxy}-11,15,16-trihydroxy-9,13-dimethyl-4,10-dioxo-5,18-dioxapentacyclo[12.5.0.0^{1,6}.0^{2,17}.0^{8,13}]nonadeca-8,11-diene-17-carboxylate
InChI key:MJOFLSVJDZIFKV-UUTDASJCSA-N

分子式:C30H36O13
分子量:604.605
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12[C@@H](OC(=O)\C=C(/C)C(C)(C)OC(C)=O)C(=O)O[C@]3([H])CC4=C(C)C(=O)C(O)=C[C@]4(C)[C@@]4([H])[C@@H](O)[C@H](O)[C@]1(OC[C@@]234)C(=O)OC |c:22,28|
SMILES:[H][C@]12[C@@H](OC(=O)\C=C(/C)C(C)(C)OC(C)=O)C(=O)O[C@]3([H])CC4=C(C)C(=O)C(O)=C[C@]4(C)[C@@]4([H])[C@@H](O)[C@H](O)[C@]1(OC[C@@]234)C(=O)OC |c:22,28|

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