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

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结构编辑

类似物检索

HIT ID:HIT214315578
Cas No:91095-51-1
常用名:3,6,19,23-Tetrahydroxy-12-ursen-28-oic acid
常用名:3,6,19,23-Tetrahydroxy-12-ursen-28-oic acid
IUPAC:(1R,2R,4aS,6aS,6bR,8R,8aR,9R,10S,12aR,12bR,14bS)-1,8,10-trihydroxy-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:(1R,2R,4aS,6aS,6bR,8R,8aR,9R,10S,12aR,12bR,14bS)-1,8,10-trihydroxy-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
InChI key:HORZOECJYCGUOG-UHVFENMYSA-N

分子式:C30H48O6
分子量:504.708
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CC=C3[C@]4([H])[C@](C)(O)[C@H](C)CC[C@@]4(CC[C@@]3(C)[C@]1(C)C[C@@H](O)[C@@]1([H])[C@](C)(CO)[C@@H](O)CC[C@]21C)C(O)=O |t:3|
SMILES:[H][C@]12CC=C3[C@]4([H])[C@](C)(O)[C@H](C)CC[C@@]4(CC[C@@]3(C)[C@]1(C)C[C@@H](O)[C@@]1([H])[C@](C)(CO)[C@@H](O)CC[C@]21C)C(O)=O |t:3|

3,6,19,23-Tetrahydroxy-12-ursen-28-oic acid is a natural product from Uncaria sessilifructus.

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