EINECS 262-721-9
[2-[(2S,10S,11S,13R,14R,15S)-14-bromo-2,13,15-trimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl]-2-oxoethyl] acetate
Also Known As: EINECS 262-721-9|17-Bromo-9beta,11beta-epoxy-21-hydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-acetate|17-Bromo-16-methyl-3,20-dioxo-9,11-epoxypregna-1,4-dien-21-yl acetate|(9xi)-17-Bromo-16alpha-methyl-3,20-dioxo-9,11-epoxypregna-1,4-dien-21-yl acetate
CAS: 61339-41-1
| Molecular Formula | C24H29BrO5 |
|---|---|
| Molecular Weight | 476.11984 g/mol |
| LogP | 3.9375 |
| Topological Polar Surface Area | 72.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 476.11984 |
| Monoisotopic Mass | 476.11984 |
| Heavy Atoms | 30 |
| Complexity | 922.55707 |
Chemical Identifiers
| CAS Number | 61339-41-1 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C35C(O5)C[C@@]2([C@]1(C(=O)COC(=O)C)Br)C)C |
Product Overview
EINECS 262-721-9 (CAS 61339-41-1), with molecular formula C24H29BrO5 and molecular weight 476.11984 g/mol. IUPAC: [2-[(2S,10S,11S,13R,14R,15S)-14-bromo-2,13,15-trimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl]-2-oxoethyl] acetate.
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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