(8S,10S,13S,14S,17S)-17-ethynyl-9,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
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![(8S,10S,13S,14S,17S)-17-ethynyl-9,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/88e24a7a61dc43929f1d7ccc21d45eb1.png "(8S,10S,13S,14S,17S)-17-ethynyl-9,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one")
(8S,10S,13S,14S,17S)-17-ethynyl-9,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
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CAS No:
116299-92-4
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Formula:
C21H28O3
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Chemical Name:
(8S,10S,13S,14S,17S)-17-ethynyl-9,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
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Synonyms:
9 alpha,17 beta-dihydroxy-17-alpha-ethynylandrost-4-ene-3-one;9,17-DEAEO;9,17-dihydroxy-17-ethynylandrost-4-en-3-one;9,17-Deaeo;116299-92-4;9,17-Dihydroxy-17-ethynylandrost-4-en-3-one;9alpha,17beta-Dihydroxy-17-alpha-ethynylandrost-4-ene-3-one;(8S,10S,13S,14S,17S)-17-ethynyl-9,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one;A806847;(8S,10S,13S,14S,17S)-17-ethynyl-10,13-dimethyl-9,17-bis(oxidanyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
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CAS No:
(8S,10S,13S,14S,17S)-17-ethynyl-9,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Basic Attributes
328.4 g/mol
328.20384475 g/mol
Computed Properties
Molecular Weight:328.4
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:328.20384475
Monoisotopic Mass:328.20384475
Topological Polar Surface Area:57.5
Heavy Atom Count:24
Complexity:684
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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