(8R,9S,10R,12R,13S,14S)-17-acetyl-12-hydroxy-10,13-dimethyl-1,2,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-one
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![(8R,9S,10R,12R,13S,14S)-17-acetyl-12-hydroxy-10,13-dimethyl-1,2,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/30fee7c38914442491632672356ff4f8.png "(8R,9S,10R,12R,13S,14S)-17-acetyl-12-hydroxy-10,13-dimethyl-1,2,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-one")
(8R,9S,10R,12R,13S,14S)-17-acetyl-12-hydroxy-10,13-dimethyl-1,2,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-one
structure -
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CAS No:
53823-05-5
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Formula:
C21H26O3
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Chemical Name:
(8R,9S,10R,12R,13S,14S)-17-acetyl-12-hydroxy-10,13-dimethyl-1,2,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-one
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Synonyms:
neridienone A;Neridienone A;53823-05-5;Neridienon A;NSC 334384;CHEMBL375572;SCHEMBL13833038;DTXSID80202106;NSC334384;NSC-334384;(8R,9S,10R,12R,13S,14S)-17-acetyl-12-hydroxy-10,13-dimethyl-1,2,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-one;12-beta-Hydroxypregna-4,6,16-triene-3,20-dione;Pregna-4,6,16-triene-3,20-dione, 12-hydroxy-, (12beta)-
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CAS No:
(8R,9S,10R,12R,13S,14S)-17-acetyl-12-hydroxy-10,13-dimethyl-1,2,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-one Basic Attributes
326.4 g/mol
326.18819469 g/mol
334384
DTXSID80202106
Computed Properties
Molecular Weight:326.4
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:326.18819469
Monoisotopic Mass:326.18819469
Topological Polar Surface Area:54.4
Heavy Atom Count:24
Complexity:713
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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