2α,24-Dihydroxyursolic acid
HIT214312008
sdf文件结构编辑类似物检索
HIT ID: HIT214312008
Cas No: 143839-02-5
分子式: C30H48O5
分子量: 488.709
常用名: 2α,24-Dihydroxyursolic acid
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S,2R,4aS,6aS,6bR,8aR,9S,10R,11R,12aR,12bR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
IUPAC: (1S,2R,4aS,6aS,6bR,8aR,9S,10R,11R,12aR,12bR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
SMILES: C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |c:9|
SMILES: C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |c:9|
InChI key: JXSVIVRDWWRQRT-BUBJOVHCSA-N
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SC
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