Einecs 260-962-4 structure

Einecs 260-962-4

[2-[(1S,2S,8R,10S,11S,13R,15S,17S)-14-acetyloxy-4-bromo-8-fluoro-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: Nonanamide,4-hydroxy|EINECS 260-962-4|2-Bromo-9beta,11beta-epoxy-6beta-fluoro-17,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 17,21-di(acetate)|2-Bromo-6-fluoro-16-methyl-3,20-dioxo-9,11-epoxypregna-1,4-diene-17,21-diyl diacetate|(17xi)-2-Bromo-6-fluoro-16-methyl-3,20-dioxo-6beta,9beta,11beta,16alpha-9,11-epoxypregna-1,4-diene-17,21-diyl diacetate

CAS: 57789-28-3
Molecular Formula C26H30BrFO7
Molecular Weight 552.1159 g/mol
LogP 3.78
Topological Polar Surface Area 99.27 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
Rotatable Bonds 4
Exact Mass 552.1159
Heavy Atoms 35
Complexity 1115.0

Chemical Identifiers

CAS Number 57789-28-3
SMILES C[C@@H]1C[C@H]2[C@@H]3C[C@H](C4=CC(=O)C(=C[C@@]4([C@]35[C@@H](O5)C[C@@]2(C1(C(=O)COC(=O)C)OC(=O)C)C)C)Br)F

Product Overview

Einecs 260-962-4 (CAS 57789-28-3), with molecular formula C26H30BrFO7 and molecular weight 552.1159 g/mol. IUPAC: [2-[(1S,2S,8R,10S,11S,13R,15S,17S)-14-acetyloxy-4-bromo-8-fluoro-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.

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