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CALLUNIN;DIHYDROHERBACETIN-8-GLUCOSIDE
SpectraBase Compound ID 4BJAkM1MHOa
InChI InChI=1S/C21H22O12/c22-6-11-13(26)15(28)17(30)21(31-11)33-19-10(25)5-9(24)12-14(27)16(29)18(32-20(12)19)7-1-3-8(23)4-2-7/h1-5,11,13,15-18,21-26,28-30H,6H2/t11-,13-,15+,16-,17-,18+,21+/m0/s1
InChIKey OKZBQVBKBLCUKP-DBENBMSBSA-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

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SpectraBase Spectrum ID AIevFscSLuq
Name CALLUNIN;(2R,3R)-3,5,7,8,4'-PENTAHYDROXY-FLAVANONE-8-O-BETA-D-GLUCOPYRANOSIDE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22O12
InChI InChI=1S/C21H22O12/c22-6-11-13(26)15(28)17(30)21(31-11)33-19-10(25)5-9(24)12-14(27)16(29)18(32-20(12)19)7-1-3-8(23)4-2-7/h1-5,11,13,15-18,21-26,28-30H,6H2/t11-,13-,15+,16-,17-,18+,21+/m0/s1
InChIKey OKZBQVBKBLCUKP-DBENBMSBSA-N
Literature Reference Author D.P.ALLAIS,A.J.CHULIA,M.KAOUADJI,A.SIMON,C.DELAGE
Literature Reference Citation PHYTOCHEM.,39,427(1995)
Literature Reference DOI 10.1016/0031-9422(94)00910-L
Molecular Weight 466.398 g/mol
Solvent CD3OD
Source File Reference UWMZ8458