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(S)N,N-Diallyl-17,17-(ethylenedioxy)-estra-1,3,5(10)-triene-3-(difluoromethane)sulfonamide
SpectraBase Compound ID 1SKy3JYJwh8
InChI InChI=1S/C27H35F2NO4S/c1-4-14-30(15-5-2)35(31,32)27(28,29)20-7-9-21-19(18-20)6-8-23-22(21)10-12-25(3)24(23)11-13-26(25)33-16-17-34-26/h4-5,7,9,18,22-24H,1-2,6,8,10-17H2,3H3/t22?,23?,24?,25-/m0/s1
InChIKey JFLCDFMWYDYDQC-DGGBHQDZSA-N
Mol Weight 507.6 g/mol
Molecular Formula C27H35F2NO4S
Exact Mass 507.225486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HgQaE5a9seW
Name (S)N,N-Diallyl-17,17-(ethylenedioxy)-estra-1,3,5(10)-triene-3-(difluoromethane)sulfonamide
Alternate Name(s) N,N-Diallyl-17,17-(ethylenedioxy)-estra-1,3,5(10)-triene-3-(difluoromethane)sulfonamide N,N-diallyl-1,1-difluoro-1-((13S)-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydrospiro[cyclopenta[a]phenanthrene-17,2'-[1,3]dioxolan]-3-yl)methanesulfonamide
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Formula C27H35F2NO4S
InChI InChI=1S/C27H35F2NO4S/c1-4-14-30(15-5-2)35(31,32)27(28,29)20-7-9-21-19(18-20)6-8-23-22(21)10-12-25(3)24(23)11-13-26(25)33-16-17-34-26/h4-5,7,9,18,22-24H,1-2,6,8,10-17H2,3H3/t22?,23?,24?,25-/m0/s1
InChIKey JFLCDFMWYDYDQC-DGGBHQDZSA-N
Molecular Weight 507.637 g/mol
SMILES C(S(N(CC=C)CC=C)(=O)=O)(c1cc2c(C3CC[C@]4(C(C3CC2)CCC42OCCO2)C)cc1)(F)F
SPLASH splash10-0002-3009000000-2e221a012b84459713d1
Source of Spectrum F5-3-3333-16
Wiley ID 1732465