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3.alpha.-Hydroxy-5.beta.-pregn-17(20)-ene

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

3.alpha.-Hydroxy-5.beta.-pregn-17(20)-ene
SpectraBase Compound ID 1D7QgWzFQLA
InChI InChI=1S/C21H34O/c1-4-14-6-8-18-17-7-5-15-13-16(22)9-11-21(15,3)19(17)10-12-20(14,18)2/h4,15-19,22H,5-13H2,1-3H3/b14-4+
InChIKey PETCQLIYOLSRPS-LNKIKWGQSA-N
Mol Weight 302.5 g/mol
Molecular Formula C21H34O
Exact Mass 302.260966 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9Hk9v6RcCYU
Name 3.alpha.-Hydroxy-5.beta.-pregn-17(20)-ene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 302.260965714 u
Formula C21H34O
InChI InChI=1S/C21H34O/c1-4-14-6-8-18-17-7-5-15-13-16(22)9-11-21(15,3)19(17)10-12-20(14,18)2/h4,15-19,22H,5-13H2,1-3H3/b14-4+
InChIKey PETCQLIYOLSRPS-LNKIKWGQSA-N
SMILES C12(C(C3C(C4(C)CCC(CC4CC3)O)CC2)CC\C1=C\C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.926512