[2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-bromoacetate
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![[2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-bromoacetate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/3eefdc39d98a4d2abda2ec55852fe480.png "[2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-bromoacetate")
[2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-bromoacetate
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CAS No:
36049-51-1
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Formula:
C23H31BrO4
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Chemical Name:
[2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-bromoacetate
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Synonyms:
21-BRAP;21-bromoacetoxyprogesterone;36049-51-1;21-Bromoacetoxyprogesterone;21-Brap;3,20-dioxopregn-4-en-21-yl bromoacetate;SCHEMBL571596;DTXSID50957459;[2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-bromoacetate;Pregn-4-ene-3,20-dione, 21-((bromoacetyl)oxy)-
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CAS No:
[2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-bromoacetate Basic Attributes
451.4 g/mol
450.14057 g/mol
Computed Properties
Molecular Weight:451.4
XLogP3:3.9
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:450.14057
Monoisotopic Mass:450.14057
Topological Polar Surface Area:60.4
Heavy Atom Count:28
Complexity:728
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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