Methyl 3-(acetyloxy)-21-oxoolean-12-en-28-oate
methyl 10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-3-oxo-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylate
Also Known As: methyl 3-(acetyloxy)-21-oxoolean-12-en-28-oate|methyl 10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-3-oxo-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylate
CAS: 33668-52-9
| Molecular Formula | C33H50O5 |
|---|---|
| Molecular Weight | 526.36584 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 526.36584 |
| Monoisotopic Mass | 526.36584 |
| Heavy Atoms | 38 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 33668-52-9 |
|---|---|
| SMILES | CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CCC5(C4CC(C(=O)C5)(C)C)C(=O)OC)C)C)C |
| InChIKey | OXDBEQMWGSNEMX-UHFFFAOYSA-N |
Product Overview
Methyl 3-(acetyloxy)-21-oxoolean-12-en-28-oate (CAS 33668-52-9), with molecular formula C33H50O5 and molecular weight 526.36584 g/mol. IUPAC: methyl 10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-3-oxo-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylate.
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.
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