OXONITINE
[8-acetyloxy-11-formyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
Also Known As: OXONITINE
CAS: 545-57-3
| Molecular Formula | C33H43NO12 |
|---|---|
| Molecular Weight | 645.2785 g/mol |
| LogP | -0.2154 |
| Topological Polar Surface Area | 170.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 645.2785 |
| Monoisotopic Mass | 645.2785 |
| Heavy Atoms | 46 |
| Complexity | 1395.605 |
Chemical Identifiers
| CAS Number | 545-57-3 |
|---|---|
| SMILES | CC(=O)OC12C3C(CC(C3OC(=O)C4=CC=CC=C4)(C(C1O)OC)O)C56C(CC(C7(C5C(C2C6N(C7)C=O)OC)COC)O)OC |
Product Overview
OXONITINE (CAS 545-57-3), with molecular formula C33H43NO12 and molecular weight 645.2785 g/mol. IUPAC: [8-acetyloxy-11-formyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate.
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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