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Pregn-17(20)-ene, (5.alpha.,17Z)-

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Pregn-17(20)-ene, (5.alpha.,17Z)-
SpectraBase Compound ID Bnn44h3fKSa
InChI InChI=1S/C21H34/c1-4-15-9-11-18-17-10-8-16-7-5-6-13-20(16,2)19(17)12-14-21(15,18)3/h4,16-19H,5-14H2,1-3H3/b15-4-
InChIKey SICNBSSTHZRCRB-TVPGTPATSA-N
Mol Weight 286.5 g/mol
Molecular Formula C21H34
Exact Mass 286.266051 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LS1hbLMsb6O
Name Pregn-17(20)-ene, (5.alpha.,17Z)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.266051095 u
Formula C21H34
InChI InChI=1S/C21H34/c1-4-15-9-11-18-17-10-8-16-7-5-6-13-20(16,2)19(17)12-14-21(15,18)3/h4,16-19H,5-14H2,1-3H3/b15-4-
InChIKey SICNBSSTHZRCRB-TVPGTPATSA-N
SMILES C\C=C\1CCC2C3CCC4CCCCC4(C)C3CCC12C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.904868