Oleanolic acid hemiphthalate disodium salt
HIT214314669
sdf文件结构编辑类似物检索
HIT ID: HIT214314669
Cas No: 168770-31-8
分子式: C38H52Na2O6
分子量: 650.808
常用名: Oleanolic acid hemiphthalate disodium salt
常用名: Oleanolic acid hemiphthalate disodium salt
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
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
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
InChI key: GJLKIRFCMHMASO-IAYBDFNWSA-N
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