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Dehydropodophyllotoxin

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

Dehydropodophyllotoxin
SpectraBase Compound ID 7dZTpGhw35v
InChI InChI=1S/C22H18O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,23H,8-9H2,1-3H3
InChIKey HSSDVCMYTACNSM-UHFFFAOYSA-N
Mol Weight 410.38 g/mol
Molecular Formula C22H18O8
Exact Mass 410.100168 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FX39qYrRnUs
Name Dehydropodophyllotoxin
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.100167532 u
Formula C22H18O8
InChI InChI=1S/C22H18O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,23H,8-9H2,1-3H3
InChIKey HSSDVCMYTACNSM-UHFFFAOYSA-N
Molecular Weight 410.378 g/mol
SMILES C1(=O)C2=C(C3=CC(=C(C(=C3)OC)OC)OC)C3=C(C(=C2CO1)O)C=C1C(OCO1)=C3
Spectrum/Structure Validation Score (Vapor Phase IR) 0.862156