Arjunolic acid
(4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
| Molecular Formula | C30H48O5 |
|---|---|
| Molecular Weight | 488.7 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 98.0 A2 |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 488.3502 |
| Heavy Atoms | 35 |
| Complexity | 941.0 |
Chemical Identifiers
| CAS Number | 465-00-9 |
|---|---|
| SMILES | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1)C)C(=O)O)C |
| InChIKey | RWNHLTKFBKYDOJ-DDHMHSPCSA-N |
📖 Product Overview
Arjunolic acid (CAS: 465-00-9) is a chemical compound with molecular formula C30H48O5 and molecular weight 488.7 g/mol. Its IUPAC systematic name is (4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid.
RWNHLTKFBKYDOJ-DDHMHSPCSA-N.
SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1)C)C(=O)O)C.
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