[(5S,8R,9S,10S,13S,14S)-17-ethynyl-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] pyridine-3-carboxylate
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![[(5S,8R,9S,10S,13S,14S)-17-ethynyl-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] pyridine-3-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/17770f4af1104c4889e852ced67f8df4.png "[(5S,8R,9S,10S,13S,14S)-17-ethynyl-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] pyridine-3-carboxylate")
[(5S,8R,9S,10S,13S,14S)-17-ethynyl-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] pyridine-3-carboxylate
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CAS No:
60834-44-8
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Formula:
C27H33NO2
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Chemical Name:
[(5S,8R,9S,10S,13S,14S)-17-ethynyl-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] pyridine-3-carboxylate
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Synonyms:
17 alpha-ethynyl-(5a)-androst-2-ene-17 beta-ol-17 beta-nicotinate;17-ethynyl-(5a)-androst-2-ene-17-ol-17-nicotinate;60834-44-8;17-Ethynyl-(5a)-androst-2-ene-17-ol-17-nicotinate;SCHEMBL3363568;DTXSID30976305;17alpha-Ethynyl-(5a)-androst-2-ene-17beta-ol-17beta-nicotinate;[(5S,8R,9S,10S,13S,14S)-17-ethynyl-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] pyridine-3-carboxylate;Pregn-2-en-20-yn-17-yl pyridine-3-carboxylate;Pregn-2-en-20-yn-17-ol, 3-pyridinecarboxylate, (5alpha,17alpha)-
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CAS No:
[(5S,8R,9S,10S,13S,14S)-17-ethynyl-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] pyridine-3-carboxylate Basic Attributes
403.6 g/mol
403.251129295 g/mol
Computed Properties
Molecular Weight:403.6
XLogP3:6.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:403.251129295
Monoisotopic Mass:403.251129295
Topological Polar Surface Area:39.2
Heavy Atom Count:30
Complexity:779
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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