For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2-Hentriacontyl-5,7-dihydroxy-8-methyl-4H-1-benzopyran-4-one

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

2-Hentriacontyl-5,7-dihydroxy-8-methyl-4H-1-benzopyran-4-one
SpectraBase Compound ID 5mINfiOr90s
InChI InChI=1S/C41H70O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-36-33-38(43)40-39(44)34-37(42)35(2)41(40)45-36/h33-34,42,44H,3-32H2,1-2H3
InChIKey MJYQBVQGXNMYSG-UHFFFAOYSA-N
Mol Weight 627.0 g/mol
Molecular Formula C41H70O4
Exact Mass 626.527411 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID IApuWWxweQz
Name 2-Hentriacontyl-5,7-dihydroxy-8-methyl-4H-1-benzopyran-4-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 626.527410730 u
Formula C41H70O4
InChI InChI=1S/C41H70O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-36-33-38(43)40-39(44)34-37(42)35(2)41(40)45-36/h33-34,42,44H,3-32H2,1-2H3
InChIKey MJYQBVQGXNMYSG-UHFFFAOYSA-N
Molecular Weight 627.007 g/mol
SMILES C1(=CC(C=2C(O1)=C(C(=CC2O)O)C)=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC