1-[(3R,5R,8R,9S,10S,12S,13S,14S,17S)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
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![1-[(3R,5R,8R,9S,10S,12S,13S,14S,17S)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0a9f37926f1a4d5294b4970ac0ef5c79.png "1-[(3R,5R,8R,9S,10S,12S,13S,14S,17S)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone")
1-[(3R,5R,8R,9S,10S,12S,13S,14S,17S)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
structure -
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CAS No:
6951-91-3
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Formula:
C21H34O3
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Chemical Name:
1-[(3R,5R,8R,9S,10S,12S,13S,14S,17S)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
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Synonyms:
3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one;CHEBI:79892;C15391;CHEMBL3137800;NSC58849;NSC-58849;6951-91-3;3alpha,12alpha-dihydroxy-5beta-pregnan20-one;Q27149044;Pregnan-20-one,12-dihydroxy-, (3.alpha.,5.beta.,12.alpha.)-
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CAS No:
1-[(3R,5R,8R,9S,10S,12S,13S,14S,17S)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone Basic Attributes
334.5 g/mol
334.25079494 g/mol
58849
Computed Properties
Molecular Weight:334.5
XLogP3:3.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:334.25079494
Monoisotopic Mass:334.25079494
Topological Polar Surface Area:57.5
Heavy Atom Count:24
Complexity:531
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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