Name: Oleanolic acid hemiphthalate disodium salt
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214314669
Cas No:168770-31-8
常用名:Oleanolic acid hemiphthalate disodium salt
常用名:Oleanolic acid hemiphthalate disodium salt
别名:齐墩果酸邻苯二甲酸二钠
IUPAC:(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(2-carboxybenzoyloxy)-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid disodium
IUPAC:(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(2-carboxybenzoyloxy)-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid disodium
InChI key:GJLKIRFCMHMASO-IAYBDFNWSA-N

分子式:C38H52Na2O6
分子量:650.808
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Na].[Na].[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](OC(=O)c4ccccc4C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |t:15|jcExt:v:0:0,1:0
SMILES:[Na].[Na].[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](OC(=O)c4ccccc4C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |t:15|jcExt:v:0:0,1:0

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