(8S,9R,10S,11S,13S,14S,16R,17S)-17-acetyl-9-bromo-11-hydroxy-10,13,16-trimethyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
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![(8S,9R,10S,11S,13S,14S,16R,17S)-17-acetyl-9-bromo-11-hydroxy-10,13,16-trimethyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e671cd9fd37746eda717ca8f3d9f871c.png "(8S,9R,10S,11S,13S,14S,16R,17S)-17-acetyl-9-bromo-11-hydroxy-10,13,16-trimethyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one")
(8S,9R,10S,11S,13S,14S,16R,17S)-17-acetyl-9-bromo-11-hydroxy-10,13,16-trimethyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
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CAS No:
17246-18-3
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Formula:
C22H31BrO3
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Chemical Name:
(8S,9R,10S,11S,13S,14S,16R,17S)-17-acetyl-9-bromo-11-hydroxy-10,13,16-trimethyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
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Synonyms:
UNII-BIM55K3QPR;9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione;BIM55K3QPR;17246-18-3;C15155;CHEBI:79673;DTXSID50938162;NSC35751;NSC 35751;NSC-35751;Q27148798;9-Bromo-11-hydroxy-16-methylpregn-4-ene-3,20-dione
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CAS No:
Description
9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione is a corticosteroid hormone.
(8S,9R,10S,11S,13S,14S,16R,17S)-17-acetyl-9-bromo-11-hydroxy-10,13,16-trimethyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one Basic Attributes
423.4 g/mol
422.14566 g/mol
BIM55K3QPR
35751
Computed Properties
Molecular Weight:423.4
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:422.14566
Monoisotopic Mass:422.14566
Topological Polar Surface Area:54.4
Heavy Atom Count:26
Complexity:700
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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