(3S,8R,9S,10R,13S,14S,17S)-17-buta-1,3-diynyl-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
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![(3S,8R,9S,10R,13S,14S,17S)-17-buta-1,3-diynyl-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/ffdd0aac64a148d487128ecaa69d9490.png "(3S,8R,9S,10R,13S,14S,17S)-17-buta-1,3-diynyl-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol")
(3S,8R,9S,10R,13S,14S,17S)-17-buta-1,3-diynyl-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
structure -
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CAS No:
2010-48-2
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Formula:
C23H30O2
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Chemical Name:
(3S,8R,9S,10R,13S,14S,17S)-17-buta-1,3-diynyl-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
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Synonyms:
ANDROST-5-ENE-3-beta,17-beta-DIOL, 17-alpha-BUTADIYNYL-;2010-48-2;BRN 2165143;17-alpha-Butadiynylandrost-5-ene-3-beta,17-beta-diol;17-alpha-Butadiynyl-3-beta,17-beta-dihydroxy-5-androsten-17-one;DTXSID80173923
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CAS No:
(3S,8R,9S,10R,13S,14S,17S)-17-buta-1,3-diynyl-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol Basic Attributes
338.5 g/mol
338.224580195 g/mol
DTXSID80173923
Computed Properties
Molecular Weight:338.5
XLogP3:3.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:338.224580195
Monoisotopic Mass:338.224580195
Topological Polar Surface Area:40.5
Heavy Atom Count:25
Complexity:727
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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