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

*Links on SpectraBase are not permalinks.

4',5,7-flavantriol, triacetate

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

4',5,7-flavantriol, triacetate
SpectraBase Compound ID 6UhqvebzTCT
InChI InChI=1S/C21H20O7/c1-12(22)25-16-6-4-15(5-7-16)19-9-8-18-20(27-14(3)24)10-17(26-13(2)23)11-21(18)28-19/h4-7,10-11,19H,8-9H2,1-3H3
InChIKey HOYRCSCCZZMKKV-UHFFFAOYSA-N
Mol Weight 384.38 g/mol
Molecular Formula C21H20O7
Exact Mass 384.120903 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 8fVbUpT2niy
Name 4',5,7-FLAVANTRIOL, TRIACETATE
Source of Sample J. G. Sweeny, the Coca-Cola Company, Atlanta, Georgia
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O7
InChI InChI=1S/C21H20O7/c1-12(22)25-16-6-4-15(5-7-16)19-9-8-18-20(27-14(3)24)10-17(26-13(2)23)11-21(18)28-19/h4-7,10-11,19H,8-9H2,1-3H3
InChIKey HOYRCSCCZZMKKV-UHFFFAOYSA-N
Melting Point 102-103C
Molecular Weight 384.39
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms FLAVANTRIOL, 4',5,7-, TRIACETATE