For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
17.alpha.[2-(2,5,5-Trimethyl-1-oxylpyrrolidin-2-yl)ethen-1-yl]estra-1,3,5(10)-triene-3,17.beta.-diol radical
SpectraBase Compound ID IGtPt8rWiT6
InChI InChI=1S/C27H38NO3/c1-24(2)13-14-25(3,28(24)31)15-16-27(30)12-10-23-22-7-5-18-17-19(29)6-8-20(18)21(22)9-11-26(23,27)4/h6,8,15-17,21-23,29-30H,5,7,9-14H2,1-4H3/b16-15+
InChIKey NULBVEJHPFWPTF-FOCLMDBBSA-N
Mol Weight 425.6 g/mol
Molecular Formula C27H39NO3
Exact Mass 425.292994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Hl0JfVpQCe
Name 17.alpha.[2-(2,5,5-Trimethyl-1-oxylpyrrolidin-2-yl)ethen-1-yl]estra-1,3,5(10)-triene-3,17.beta.-diol radical
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H38NO3
InChI InChI=1S/C27H38NO3/c1-24(2)13-14-25(3,28(24)31)15-16-27(30)12-10-23-22-7-5-18-17-19(29)6-8-20(18)21(22)9-11-26(23,27)4/h6,8,15-17,21-23,29-30H,5,7,9-14H2,1-4H3/b16-15+
InChIKey NULBVEJHPFWPTF-FOCLMDBBSA-N
Molecular Weight 425.613 g/mol
SMILES Oc1ccc2c(CCC3C4C(C(CC4)(\C=C\C4(N(C(C)(C)CC4)O)C)O)(CCC23)C)c1
SPLASH splash10-052f-9000000000-dd973478101189f20f2a
Source of Spectrum SO-0-1045-22
Wiley ID 876707