(8R,9S,10R,13S,14S,17S)-17-but-1-ynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
-
![(8R,9S,10R,13S,14S,17S)-17-but-1-ynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/8f8cbfa1d5db479cb4c6cb00cf7ff338.png "(8R,9S,10R,13S,14S,17S)-17-but-1-ynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one")
(8R,9S,10R,13S,14S,17S)-17-but-1-ynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
structure -
-
CAS No:
4560-50-3
-
Formula:
C22H30O2
-
Chemical Name:
(8R,9S,10R,13S,14S,17S)-17-but-1-ynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
-
Synonyms:
NSC70591;NIOSH/KG7962200;ZINC4802938;NSC-70591;17-alpha-Ethylethynyl-19-nortestosterone;KG79622000;17alpha-(1-Butynyl)-17beta-hydroxyestr-4-en-3-one;(17beta)-17-(1-butynyl)-17-hydroxyestr-4-en-3-one;17-alpha-(1-Butynyl)-17-beta-hydroxyestr-4-en-3-one;Estr-4-en-3-one, 17-alpha-(1-butynyl)-17-beta-hydroxy-;4560-50-3
-
CAS No:
(8R,9S,10R,13S,14S,17S)-17-but-1-ynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one Basic Attributes
326.5 g/mol
326.224580195 g/mol
70591
Computed Properties
Molecular Weight:326.5
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:326.224580195
Monoisotopic Mass:326.224580195
Topological Polar Surface Area:37.3
Heavy Atom Count:24
Complexity:647
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Request for Quotation