Name: 3,19-Dihydroxy-6,23-dioxo-12-ursen-28-oic acid
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT213887053
Cas No:261768-88-1
常用名:3,19-Dihydroxy-6,23-dioxo-12-ursen-28-oic acid
常用名:3,19-Dihydroxy-6,23-dioxo-12-ursen-28-oic acid
IUPAC:(1R,2R,4aS,6aS,6bR,8aR,9S,10S,12aR,12bR,14bS)-9-formyl-1,10-dihydroxy-1,2,6a,6b,9,12a-hexamethyl-8-oxo-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:(1R,2R,4aS,6aS,6bR,8aR,9S,10S,12aR,12bR,14bS)-9-formyl-1,10-dihydroxy-1,2,6a,6b,9,12a-hexamethyl-8-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
InChI key:BHHKBYFDFSIXJN-WQMBMQKBSA-N

分子式:C30H44O6
分子量:500.676
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(C=O)[C@@H]5C(=O)C[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O |c:9|
SMILES:C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(C=O)[C@@H]5C(=O)C[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O |c:9|

3,19-Dihydroxy-6,23-dioxo-12-ursen-28-oic acid 是一种天然产物，可用于生命科学领域的相关研究。其产品编号为 TN2853，CAS号为 261768-88-1。

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