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3-METHYLXANTHOPURPURIN-6-O-METHYLETHER-8-O-BETA-D-GENTIOBIOSIDE-HEPTAACETATE;3-METHOXY-6-METHYL-1-[[2,3,4-TRI-O-ACETYL-6-O-(2,3,4,6-TETRA-O-ACETY

View entire compound with spectra: 1 NMR

3-METHYLXANTHOPURPURIN-6-O-METHYLETHER-8-O-BETA-D-GENTIOBIOSIDE-HEPTAACETATE;3-METHOXY-6-METHYL-1-[[2,3,4-TRI-O-ACETYL-6-O-(2,3,4,6-TETRA-O-ACETY
SpectraBase Compound ID HbKF1mXAvv
InChI InChI=1S/C42H46O21/c1-17-10-11-26-27(12-17)33(50)28-13-25(52-9)14-29(32(28)34(26)51)61-42-40(60-24(8)49)38(58-22(6)47)36(56-20(4)45)31(63-42)16-54-41-39(59-23(7)48)37(57-21(5)46)35(55-19(3)44)30(62-41)15-53-18(2)43/h10-14,30-31,35-42H,15-16H2,1-9H3/t30-,31+,35-,36+,37+,38-,39-,40+,41-,42+/m0/s1
InChIKey CYCWMVHOHAOLRV-LFKDXRDGSA-N
Mol Weight 886.8 g/mol
Molecular Formula C42H46O21
Exact Mass 886.253158 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID WkCMqNjpAD
Name 3-METHYLXANTHOPURPURIN-6-O-METHYLETHER-8-O-BETA-D-GENTIOBIOSIDE-HEPTAACETATE;3-METHOXY-6-METHYL-1-[[2,3,4-TRI-O-ACETYL-6-O-(2,3,4,6-TETRA-O-ACETY
Compound Number 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H46O21
InChI InChI=1S/C42H46O21/c1-17-10-11-26-27(12-17)33(50)28-13-25(52-9)14-29(32(28)34(26)51)61-42-40(60-24(8)49)38(58-22(6)47)36(56-20(4)45)31(63-42)16-54-41-39(59-23(7)48)37(57-21(5)46)35(55-19(3)44)30(62-41)15-53-18(2)43/h10-14,30-31,35-42H,15-16H2,1-9H3/t30-,31+,35-,36+,37+,38-,39-,40+,41-,42+/m0/s1
InChIKey CYCWMVHOHAOLRV-LFKDXRDGSA-N
Literature Reference Author M.GILL,A.F.SMRDEL
Literature Reference Citation AUSTR.J.CHEM.,53,47(2000)
Literature Reference DOI 10.1071/CH99176
Molecular Weight 886.815 g/mol
Solvent CDCl3
Source File Reference UWSI2848