Acetoxolone
10-acetyloxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
Also Known As: Acetoxolone|Acetoxolone aluminium salt|3-(acetyloxy)-11-oxoolean-12-en-29-oic acid|3-(acetyloxy)-11-oxoolean-12-en-30-oic acid|10-acetyloxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
CAS: 21308-87-2
| Molecular Formula | C32H48O5 |
|---|---|
| Molecular Weight | 512.35016 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 512.35016 |
| Monoisotopic Mass | 512.35016 |
| Heavy Atoms | 37 |
| Complexity | 1070.0 |
Chemical Identifiers
| CAS Number | 21308-87-2 |
|---|---|
| SMILES | CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C |
| InChIKey | FTQDJVZNPJRVPG-UHFFFAOYSA-N |
Product Overview
Acetoxolone (CAS 21308-87-2), with molecular formula C32H48O5 and molecular weight 512.35016 g/mol. IUPAC: 10-acetyloxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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