(3S,5R,8S,9S,10R,13S,14S,17R)-3-hydroxy-17-[(1S)-1-[(2S,3R,5S)-3-hydroxy-5-methylpiperidin-2-yl]ethyl]-10,13-dimethyl-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-4-one
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![(3S,5R,8S,9S,10R,13S,14S,17R)-3-hydroxy-17-[(1S)-1-[(2S,3R,5S)-3-hydroxy-5-methylpiperidin-2-yl]ethyl]-10,13-dimethyl-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/4fd6bf95ebc94deab27a2a4e12b6b7c9.png "(3S,5R,8S,9S,10R,13S,14S,17R)-3-hydroxy-17-[(1S)-1-[(2S,3R,5S)-3-hydroxy-5-methylpiperidin-2-yl]ethyl]-10,13-dimethyl-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-4-one")
(3S,5R,8S,9S,10R,13S,14S,17R)-3-hydroxy-17-[(1S)-1-[(2S,3R,5S)-3-hydroxy-5-methylpiperidin-2-yl]ethyl]-10,13-dimethyl-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-4-one
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CAS No:
89945-96-0
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Formula:
C27H45NO3
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Chemical Name:
(3S,5R,8S,9S,10R,13S,14S,17R)-3-hydroxy-17-[(1S)-1-[(2S,3R,5S)-3-hydroxy-5-methylpiperidin-2-yl]ethyl]-10,13-dimethyl-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-4-one
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Synonyms:
89945-96-0;DTXSID901009070;16,28-Secosolanidan-4-one, 3,23-dihydroxy-, (3beta,5alpha,22alpha,23beta,25beta)-;3-Hydroxy-20-(3-hydroxy-5-methylpiperidin-2-yl)pregnan-4-one
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CAS No:
(3S,5R,8S,9S,10R,13S,14S,17R)-3-hydroxy-17-[(1S)-1-[(2S,3R,5S)-3-hydroxy-5-methylpiperidin-2-yl]ethyl]-10,13-dimethyl-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-4-one Basic Attributes
431.7 g/mol
431.33994430 g/mol
Computed Properties
Molecular Weight:431.7
XLogP3:5.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:431.33994430
Monoisotopic Mass:431.33994430
Topological Polar Surface Area:69.6
Heavy Atom Count:31
Complexity:711
Defined Atom Stereocenter Count:12
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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