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17.alpha.-3-Methoxy-[2-(2,5,5-trimethyl-1-oxylpyrrolidin-2-yl)ethyn-1-yl]estra-1,3,5(10)-triene-17.beta.-ol radical
SpectraBase Compound ID 64sYI7fGbMc
InChI InChI=1S/C28H38NO3/c1-25(2)14-15-26(3,29(25)31)16-17-28(30)13-11-24-23-8-6-19-18-20(32-5)7-9-21(19)22(23)10-12-27(24,28)4/h7,9,18,22-24,30H,6,8,10-15H2,1-5H3
InChIKey MWAIHOZGEFIFMF-UHFFFAOYSA-N
Mol Weight 437.6 g/mol
Molecular Formula C28H39NO3
Exact Mass 437.292994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BXXhbTKmYrx
Name 17.alpha.-3-Methoxy-[2-(2,5,5-trimethyl-1-oxylpyrrolidin-2-yl)ethyn-1-yl]estra-1,3,5(10)-triene-17.beta.-ol radical
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H38NO3
InChI InChI=1S/C28H38NO3/c1-25(2)14-15-26(3,29(25)31)16-17-28(30)13-11-24-23-8-6-19-18-20(32-5)7-9-21(19)22(23)10-12-27(24,28)4/h7,9,18,22-24,30H,6,8,10-15H2,1-5H3
InChIKey MWAIHOZGEFIFMF-UHFFFAOYSA-N
Molecular Weight 437.624 g/mol
SMILES ON1C(C#CC2(C3(C(C4CCc5c(C4CC3)ccc(OC)c5)CC2)C)O)(CCC1(C)C)C
SPLASH splash10-0a6r-9070500000-4b7a87be74e254d01f38
Source of Spectrum SO-0-1045-20
Wiley ID 876709