1-[(3S,8R,9S,10R,13S,14S,17R)-17-hydroperoxy-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
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![1-[(3S,8R,9S,10R,13S,14S,17R)-17-hydroperoxy-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/91692b91864a4c8683a41430ebbc0fc8.png "1-[(3S,8R,9S,10R,13S,14S,17R)-17-hydroperoxy-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone")
1-[(3S,8R,9S,10R,13S,14S,17R)-17-hydroperoxy-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
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CAS No:
34069-59-5
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Formula:
C21H32O4
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Chemical Name:
1-[(3S,8R,9S,10R,13S,14S,17R)-17-hydroperoxy-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
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Synonyms:
17 alpha-hydroperoxypregnenolone;pregnenolone 17alpha-hydroperoxide;34069-59-5;Pregnenolone 17alpha-hydroperoxide;17alpha-Hydroperoxypregnenolone;(3beta)-17-Hydroperoxy-3-hydroxypregn-5-en-20-one;DTXSID40955626;17-Hydroperoxy-3-hydroxypregn-5-en-20-one
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CAS No:
1-[(3S,8R,9S,10R,13S,14S,17R)-17-hydroperoxy-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone Basic Attributes
348.5 g/mol
348.23005950 g/mol
Computed Properties
Molecular Weight:348.5
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:348.23005950
Monoisotopic Mass:348.23005950
Topological Polar Surface Area:66.8
Heavy Atom Count:25
Complexity:613
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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