Name: Triptotriterpenic acid A
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212671559
Cas No:84108-17-8
常用名:Triptotriterpenic acid A
IUPAC:(2S,4S,4aR,6aS,6bR,8aR,10S,12aR,12bR,14bS)-4,10-dihydroxy-2,4a,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-2-carboxylic acid
IUPAC:(2S,4S,4aR,6aS,6bR,8aR,10S,12aR,12bR,14bS)-4,10-dihydroxy-2,4a,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-2-carboxylic acid
InChI key:JTBGJQZJEYVBJZ-YLXTXNMFSA-N

分子式:C30H48O4
分子量:472.71
氢键供体数 (HBD):3
氢键受体数 (HBA):4
LogP:5.3640223
SMILES:[H][C@@]12C[C@@](C)(C[C@H](O)[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |t:16|
SMILES:[H][C@@]12C[C@@](C)(C[C@H](O)[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |t:16|

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