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Dioncophyllin A

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

Dioncophyllin A
SpectraBase Compound ID FAWZ3damhPw
InChI InChI=1S/C24H27NO3/c1-13-11-20(28-5)23-17(7-6-8-19(23)27-4)21(13)18-10-9-16-12-14(2)25-15(3)22(16)24(18)26/h6-11,14-15,25-26H,12H2,1-5H3
InChIKey MXIZZLBQRBAZEX-UHFFFAOYSA-N
Mol Weight 377.48 g/mol
Molecular Formula C24H27NO3
Exact Mass 377.199094 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9LF1XXBm1dc
Name Dioncophyllin A
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 377.199093730 u
Formula C24H27NO3
InChI InChI=1S/C24H27NO3/c1-13-11-20(28-5)23-17(7-6-8-19(23)27-4)21(13)18-10-9-16-12-14(2)25-15(3)22(16)24(18)26/h6-11,14-15,25-26H,12H2,1-5H3
InChIKey MXIZZLBQRBAZEX-UHFFFAOYSA-N
Molecular Weight 377.484 g/mol
SMILES C1=C(C2=C(C(=C1C)C1=CC=C3C(=C1O)C(NC(C3)C)C)C=CC=C2OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.846595