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

*Links on SpectraBase are not permalinks.
XERACTINOL;(2R,3R)-2-(3,5-DIHYDROXYPHENYL)-6-BETA-D-GLUCOPYRANOSYL-2,3-DIHYDRO-3,5,7-TRIHYDROXY-4H-1-BENZOPYRAN-4-ONE
SpectraBase Compound ID 7n6edNYO5LR
InChI InChI=1S/C21H22O12/c22-5-11-14(26)17(29)19(31)21(33-11)12-9(25)4-10-13(15(12)27)16(28)18(30)20(32-10)6-1-7(23)3-8(24)2-6/h1-4,11,14,17-27,29-31H,5H2/t11-,14-,17+,18-,19-,20+,21+/m0/s1
InChIKey DBEVFDSIUAOFPU-PKJQZVCSSA-N
Mol Weight 466.4 g/mol
Molecular Formula C21H22O12
Exact Mass 466.111126 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 FtjZM5ft3Xy
Name XERACTINOL;(2R,3R)-2-(3,5-DIHYDROXYPHENYL)-6-BETA-D-GLUCOPYRANOSYL-2,3-DIHYDRO-3,5,7-TRIHYDROXY-4H-1-BENZOPYRAN-4-ONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22O12
InChI InChI=1S/C21H22O12/c22-5-11-14(26)17(29)19(31)21(33-11)12-9(25)4-10-13(15(12)27)16(28)18(30)20(32-10)6-1-7(23)3-8(24)2-6/h1-4,11,14,17-27,29-31H,5H2/t11-,14-,17+,18-,19-,20+,21+/m0/s1
InChIKey DBEVFDSIUAOFPU-PKJQZVCSSA-N
Literature Reference Author A.L.DOKKEDAL,F.LAVARDA,L.C.D.SANTOS,W.VILEGAS
Literature Reference Citation J.BRAZ.CHEM.SOC.,18,437(2007)
Literature Reference DOI 10.1590/s0103-50532007000200029
Molecular Weight 466.398 g/mol
Source File Reference UWIR5325