(5R,8R,9S,10S,12S,13S,14S,17S)-17-acetyl-12-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
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![(5R,8R,9S,10S,12S,13S,14S,17S)-17-acetyl-12-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/c8e3eff9363d4ff98740cdcd812cc555.png "(5R,8R,9S,10S,12S,13S,14S,17S)-17-acetyl-12-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one")
(5R,8R,9S,10S,12S,13S,14S,17S)-17-acetyl-12-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
structure -
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CAS No:
67069-27-6
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Formula:
C21H32O3
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Chemical Name:
(5R,8R,9S,10S,12S,13S,14S,17S)-17-acetyl-12-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
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Synonyms:
12alpha-Hydroxy-5beta-pregnane-3,20-dione;67069-27-6;12-hydroxypregnane-3,20-dione;C15384;CHEBI:79885;DTXSID70986105;NSC58789;ZINC4727166;NSC-58789;12a-hydroxy-5b-pregnan-3,20-dione;Q27149034
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CAS No:
(5R,8R,9S,10S,12S,13S,14S,17S)-17-acetyl-12-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one Basic Attributes
332.5 g/mol
332.23514488 g/mol
58789
Computed Properties
Molecular Weight:332.5
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:332.23514488
Monoisotopic Mass:332.23514488
Topological Polar Surface Area:54.4
Heavy Atom Count:24
Complexity:569
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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