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JACAGLABROSIDE_D;1,6-BIS-(1-HYDROXY-4-OXO-2,5-CYCLOHEXADIENE-1-ACETYL)-2-BENZENEACETYL-3-(PARA-HYDROXYBENZENEACETYL)-BETA-GLUCOPYRANOSIDE

View entire compound with spectra: 1 NMR

JACAGLABROSIDE_D;1,6-BIS-(1-HYDROXY-4-OXO-2,5-CYCLOHEXADIENE-1-ACETYL)-2-BENZENEACETYL-3-(PARA-HYDROXYBENZENEACETYL)-BETA-GLUCOPYRANOSIDE
SpectraBase Compound ID IFqREK0wmGi
InChI InChI=1S/C38H36O15/c39-25-8-6-24(7-9-25)19-29(42)51-34-33(46)28(22-49-31(44)20-37(47)14-10-26(40)11-15-37)50-36(35(34)52-30(43)18-23-4-2-1-3-5-23)53-32(45)21-38(48)16-12-27(41)13-17-38/h1-17,28,33-36,39,46-48H,18-22H2/t28-,33-,34+,35-,36+/m0/s1
InChIKey RRHDTHQZTKKZGZ-NDWHKYQDSA-N
Mol Weight 732.7 g/mol
Molecular Formula C38H36O15
Exact Mass 732.20542 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KLI2HGehQvs
Name JACAGLABROSIDE_D;1,6-BIS-(1-HYDROXY-4-OXO-2,5-CYCLOHEXADIENE-1-ACETYL)-2-BENZENEACETYL-3-(PARA-HYDROXYBENZENEACETYL)-BETA-GLUCOPYRANOSIDE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H36O15
InChI InChI=1S/C38H36O15/c39-25-8-6-24(7-9-25)19-29(42)51-34-33(46)28(22-49-31(44)20-37(47)14-10-26(40)11-15-37)50-36(35(34)52-30(43)18-23-4-2-1-3-5-23)53-32(45)21-38(48)16-12-27(41)13-17-38/h1-17,28,33-36,39,46-48H,18-22H2/t28-,33-,34+,35-,36+/m0/s1
InChIKey RRHDTHQZTKKZGZ-NDWHKYQDSA-N
Literature Reference Author M.S.GACHET,O.KUNERT,M.KAISER,R.BRUN,R.A.MUNOZ,R.BAUER,W.SCHU EHLY
Literature Reference Citation J.NAT.PROD.,73,553(2010)
Literature Reference DOI 10.1021/np900528m
Molecular Weight 732.695 g/mol
Sample ID 35173
Solvent ACETONE-D6