Name: 3-O-Acetyl-11-hydroxy-beta-boswellic acid
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212665169
Cas No:146019-25-2
常用名:3-O-Acetyl-11-hydroxy-beta-boswellic acid
常用名:3-O-Acetyl-11-hydroxy-beta-boswellic acid
IUPAC:(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14R,14aR,14bS)-3-(acetyloxy)-14-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acid
IUPAC:(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14R,14aR,14bS)-3-(acetyloxy)-14-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acid
InChI key:GKZSILIAFXNPRA-GHQZQFNUSA-N

分子式:C32H50O5
分子量:514.747
氢键供体数 (HBD):2
氢键受体数 (HBA):4
LogP:5.8700733
SMILES:[H][C@@]12CC[C@]3(C)[C@]([H])([C@H](O)C=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]34C)[C@@]1(C)CC[C@@H](OC(C)=O)[C@]2(C)C(O)=O |t:10|
SMILES:[H][C@@]12CC[C@]3(C)[C@]([H])([C@H](O)C=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]34C)[C@@]1(C)CC[C@@H](OC(C)=O)[C@]2(C)C(O)=O |t:10|

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