Name: Antimicrobial agent-27
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT217584240
Cas No:1581276-60-9
常用名:Antimicrobial agent-27
IUPAC:(3R,4R,4aR,5S,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-4,5,10-trihydroxy-4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-3-yl (2S)-2-methylbutanoate
IUPAC:(3R,4R,4aR,5S,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-4,5,10-trihydroxy-4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-3-yl (2S)-2-methylbutanoate
InChI key:UTHVUHCIHWGOIA-YHLPCCDPSA-N

分子式:C35H58O7
分子量:590.842
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CC(C)(C)[C@@H](OC(=O)[C@@H](C)CC)[C@H](O)[C@]1(CO)[C@@H](O)C[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](C)(CO)[C@]3([H])CC[C@@]12C
SMILES:[H][C@@]12CC(C)(C)[C@@H](OC(=O)[C@@H](C)CC)[C@H](O)[C@]1(CO)[C@@H](O)C[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](C)(CO)[C@]3([H])CC[C@@]12C

Antimicrobial agent-27 (compound 4)，一种齐墩烷型三萜酰化衍生物，源自匙羹藤 (Gymnema sylvestre) 的分离提取。

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