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3.alpha.-Acetylplucheinol

View entire compound with spectra: 1 NMR, and 1 FTIR

3.alpha.-Acetylplucheinol
SpectraBase Compound ID CbtkPYnSiOw
InChI InChI=1S/C17H26O5/c1-10(18)22-14-6-7-16(4)9-12(19)11(15(2,3)20)8-13(16)17(14,5)21/h8,13-14,20-21H,6-7,9H2,1-5H3
InChIKey XZZJZWQEJSUAFZ-UHFFFAOYSA-N
Mol Weight 310.39 g/mol
Molecular Formula C17H26O5
Exact Mass 310.178024 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BjmNyJ6xD9S
Name 3.alpha.-Acetylplucheinol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.178023932 u
Formula C17H26O5
InChI InChI=1S/C17H26O5/c1-10(18)22-14-6-7-16(4)9-12(19)11(15(2,3)20)8-13(16)17(14,5)21/h8,13-14,20-21H,6-7,9H2,1-5H3
InChIKey XZZJZWQEJSUAFZ-UHFFFAOYSA-N
Molecular Weight 310.390 g/mol
SMILES C1(CCC2(C(C1(O)C)C=C(C(C2)=O)C(C)(C)O)C)OC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.812128