17-alpha-Chloroethynyl-3,17-beta-dimethoxy-oestra-1,3,5(10)-triene structure

17-alpha-Chloroethynyl-3,17-beta-dimethoxy-oestra-1,3,5(10)-triene

(8R,9S,13S,14S)-17-(2-chloroethynyl)-3,17-dimethoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene

Also Known As: BDH 2700|17-alpha-Chloroethynyl-3,17-beta-dimethoxy-oestra-1,3,5(10)-triene|19-Nor-17-alpha-pregna-1,3,5(10)-trien-20-yne, 21-chloro-3,17-dimethoxy-|21-Chloro-3,17-dimethoxy-19-nor-17-alpha-pregn-1,3,5(10)-trien-20-yne|19-Norpregna-1,3,5(10)-trien-20-yne, 21-chloro-3,17-dimethoxy-, (17-alpha)-|19-Nor-17alpha-pregna-1,3,5(10)-trien-20-yne, 21-chloro-3,17-dimethoxy-|19-Norpregna-1,3,5(10)-trien-20-yne, 21-chloro-3,17-dimethoxy-, (17alpha)-|19-Nor-17.alpha.-pregna-1,3,5(10)-trien-20-yne, 21-chloro-3,17-dimethoxy-|19-Norpregna-1,3,5(10)-trien-20-yne, 21-chloro-3,17-dimethoxy-, (17.alpha.)-|(8R,9S,13S,14S)-17-(2-chloroethynyl)-3,17-dimethoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene

CAS: 7548-44-9
Molecular Formula C22H27ClO2
Molecular Weight 358.16995 g/mol
LogP 5.5
Topological Polar Surface Area 18.5 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
Rotatable Bonds 3
Exact Mass 358.16995
Monoisotopic Mass 358.16995
Heavy Atoms 25
Complexity 577.0

Chemical Identifiers

CAS Number 7548-44-9
SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2(C#CCl)OC)CCC4=C3C=CC(=C4)OC
InChIKey CRTBVSMXTMELEJ-RPKDUVEISA-N

Product Overview

17-alpha-Chloroethynyl-3,17-beta-dimethoxy-oestra-1,3,5(10)-triene (CAS 7548-44-9), with molecular formula C22H27ClO2 and molecular weight 358.16995 g/mol. IUPAC: (8R,9S,13S,14S)-17-(2-chloroethynyl)-3,17-dimethoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene.

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17-alpha-Chloroethynyl-3,17-beta-dimethoxy-oestra-1,3,5(10)-triene is a custom synthesis product. We offer services from milligram to kilogram scale.

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