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4,5-Epoxy-14-acetoxy-xeniaphyllandiol

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

4,5-Epoxy-14-acetoxy-xeniaphyllandiol
SpectraBase Compound ID 29c40JDbvgZ
InChI InChI=1S/C22H36O4/c1-14-7-8-19-22(6,26-19)12-9-17-16(14)13-21(17,5)11-10-18(20(3,4)24)25-15(2)23/h16-19,24H,1,7-13H2,2-6H3
InChIKey WNWNVWUXDKJPND-UHFFFAOYSA-N
Mol Weight 364.5 g/mol
Molecular Formula C22H36O4
Exact Mass 364.26136 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 86Ga2sOtHZ4
Name 4,5-Epoxy-14-acetoxy-xeniaphyllandiol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.261359635 u
Formula C22H36O4
InChI InChI=1S/C22H36O4/c1-14-7-8-19-22(6,26-19)12-9-17-16(14)13-21(17,5)11-10-18(20(3,4)24)25-15(2)23/h16-19,24H,1,7-13H2,2-6H3
InChIKey WNWNVWUXDKJPND-UHFFFAOYSA-N
Molecular Weight 364.526 g/mol
SMILES C12(OC1CCC(C1CC(C1CC2)(CCC(OC(=O)C)C(C)(C)O)C)=C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.949101