URS-12-EN-29-OIC ACID,3-HYDROXY
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 13073350
Name
URS-12-EN-29-OIC ACID,3-HYDROXY
IUPAC name
(1S,2R,4aS,6aS,6bR,10S,12aR,12bR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid
SMILES
C[C@H]1[C@@H]([C@@H]2[C@@](CC[C@@]3(C2=CC[C@H]4[C@]3(CCC5[C@@]4(CC[C@@H]([C@]5(C)C)O)C)C)C)(CC1)C(=O)O)C
Molecular formula
C30H48O3
Molecular weight
456.71 g/mol
Monoisotopic mass
456.3603 Da
Pathway:
Superclass:
Class:
Glycoside:
No
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Bryonia dioica Jacq. | root | - |
Biglino, G. (1961). Constituents of Bryonia dioica root. Congr Sci Farm Conf Comun 21 Pisa, 193-202
|