22-Hydroxy-3-oxoolean-12-en-29-oic acid
HIT214311992
sdf文件结构编辑类似物检索
HIT ID: HIT214311992
Cas No: 144629-84-5
分子式: C30H46O4
分子量: 470.694
常用名: 22-Hydroxy-3-oxoolean-12-en-29-oic acid
常用名: 22-Hydroxy-3-oxoolean-12-en-29-oic acid
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S,4R,4aR,6aS,6bR,8aR,12aR,12bR,14bS)-4-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid
IUPAC: (2S,4R,4aR,6aS,6bR,8aR,12aR,12bR,14bS)-4-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid
SMILES: CC1(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5C[C@@](C)(C[C@@H](O)[C@]5(C)CC[C@@]34C)C(O)=O)[C@@]2(C)CCC1=O |t:10|
SMILES: CC1(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5C[C@@](C)(C[C@@H](O)[C@]5(C)CC[C@@]34C)C(O)=O)[C@@]2(C)CCC1=O |t:10|
InChI key: RUJQEBHXYLCSKV-WXNQFKCXSA-N
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