AC1O58NR structure

AC1O58NR

(6R,8S,10S,11S,13S,14S,16R,17R)-9-bromo-6-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one

Also Known As: EINECS 262-493-0|9-Bromo-6-fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione|9-Bromo-6beta-fluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione|(6R,8S,10S,11S,13S,14S,16R,17R)-9-bromo-6-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one|(9xi)-9-Bromo-6beta-fluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione

CAS: 60864-54-2
Molecular Formula C22H28BrFO5
Molecular Weight 470.1104 g/mol
LogP 2.2691
Topological Polar Surface Area 94.83 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
Rotatable Bonds 2
Exact Mass 470.1104
Monoisotopic Mass 470.1104
Heavy Atoms 29
Complexity 841.05927

Chemical Identifiers

CAS Number 60864-54-2
SMILES C[C@@H]1C[C@H]2[C@@H]3C[C@H](C4=CC(=O)C=C[C@@]4(C3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)Br)C)F

Product Overview

AC1O58NR (CAS 60864-54-2), with molecular formula C22H28BrFO5 and molecular weight 470.1104 g/mol. IUPAC: (6R,8S,10S,11S,13S,14S,16R,17R)-9-bromo-6-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one.

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