(8S,9S,13S,14S)-17-ethynyl-10-hydroperoxy-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
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![(8S,9S,13S,14S)-17-ethynyl-10-hydroperoxy-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/bac50699986a4cb3be2ea1bd13238f0e.png "(8S,9S,13S,14S)-17-ethynyl-10-hydroperoxy-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one")
(8S,9S,13S,14S)-17-ethynyl-10-hydroperoxy-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
structure -
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CAS No:
89376-77-2
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Formula:
C20H24O4
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Chemical Name:
(8S,9S,13S,14S)-17-ethynyl-10-hydroperoxy-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
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Synonyms:
89376-77-2;DTXSID901008791;10-Hydroperoxy-17-hydroxy-19-norpregna-1,4-dien-20-yn-3-one
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CAS No:
(8S,9S,13S,14S)-17-ethynyl-10-hydroperoxy-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one Basic Attributes
328.4 g/mol
328.16745924 g/mol
Computed Properties
Molecular Weight:328.4
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:328.16745924
Monoisotopic Mass:328.16745924
Topological Polar Surface Area:66.8
Heavy Atom Count:24
Complexity:698
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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