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5-o-Methyllupiwighteone diacetate

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

5-o-Methyllupiwighteone diacetate
SpectraBase Compound ID 7Lb4om7huwQ
InChI InChI=1S/C25H24O7/c1-14(2)6-11-19-21(32-16(4)27)12-22(29-5)23-24(28)20(13-30-25(19)23)17-7-9-18(10-8-17)31-15(3)26/h6-10,12-13H,11H2,1-5H3
InChIKey MRWZHZFSBOZOKS-UHFFFAOYSA-N
Mol Weight 436.46 g/mol
Molecular Formula C25H24O7
Exact Mass 436.152203 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DpR8nKViTuI
Name 5-o-Methyllupiwighteone diacetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.152203106 u
Formula C25H24O7
InChI InChI=1S/C25H24O7/c1-14(2)6-11-19-21(32-16(4)27)12-22(29-5)23-24(28)20(13-30-25(19)23)17-7-9-18(10-8-17)31-15(3)26/h6-10,12-13H,11H2,1-5H3
InChIKey MRWZHZFSBOZOKS-UHFFFAOYSA-N
Molecular Weight 436.460 g/mol
SMILES C12=C(C(=CC(=C2CC=C(C)C)OC(=O)C)OC)C(C(=CO1)C1=CC=C(C=C1)OC(=O)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.911335