(5R,8R,9S,10R,13S,14S,17R)-17-ethynyl-5,17-dihydroxy-13-methyl-2,4,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
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![(5R,8R,9S,10R,13S,14S,17R)-17-ethynyl-5,17-dihydroxy-13-methyl-2,4,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b93dfe3dc0cd4b09bd38a577a9f88726.png "(5R,8R,9S,10R,13S,14S,17R)-17-ethynyl-5,17-dihydroxy-13-methyl-2,4,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one")
(5R,8R,9S,10R,13S,14S,17R)-17-ethynyl-5,17-dihydroxy-13-methyl-2,4,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
structure -
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CAS No:
101409-94-3
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Formula:
C20H28O3
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Chemical Name:
(5R,8R,9S,10R,13S,14S,17R)-17-ethynyl-5,17-dihydroxy-13-methyl-2,4,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
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Synonyms:
5,17-dihydroxy-5,17,19-norpregn-20-yn-3-one;5,17-dihydroxy-5,17,19-norpregn-20-yn-3-one, (5beta,17alpha)-isomer;DHNPYO;Dhnpyo;101409-94-3;5,17-Dihydroxy-5,17,19-norpregn-20-yn-3-one;DTXSID50906144;(5alpha,17alpha)-5,17-Dihydroxy-19-norpregn-20-yn-3-one;5,17-Dihydroxy-19-norpregn-20-yn-3-one;19-Norpregn-20-yn-3-one, 5,17-dihydroxy-, (5alpha,17alpha)-
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CAS No:
(5R,8R,9S,10R,13S,14S,17R)-17-ethynyl-5,17-dihydroxy-13-methyl-2,4,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one Basic Attributes
316.4 g/mol
316.20384475 g/mol
Computed Properties
Molecular Weight:316.4
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:316.20384475
Monoisotopic Mass:316.20384475
Topological Polar Surface Area:57.5
Heavy Atom Count:23
Complexity:589
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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