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JACAGLABROSIDE_A;1,6-BIS-(1-HYDROXY-4-OXO-2,5-CYCLOHEXADIENE-1-ACETYL)-2,3-BIS-(BENZENEACETYL)-BETA-GLUCOPYRANOSIDE
SpectraBase Compound ID DBx46mDKAeL
InChI InChI=1S/C38H36O14/c39-26-11-15-37(46,16-12-26)21-31(43)48-23-28-33(45)34(50-29(41)19-24-7-3-1-4-8-24)35(51-30(42)20-25-9-5-2-6-10-25)36(49-28)52-32(44)22-38(47)17-13-27(40)14-18-38/h1-18,28,33-36,45-47H,19-23H2/t28-,33-,34+,35-,36+/m0/s1
InChIKey SPQIICSVRHBKJU-NDWHKYQDSA-N
Mol Weight 716.7 g/mol
Molecular Formula C38H36O14
Exact Mass 716.210506 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID In55dFz8L6l
Name JACAGLABROSIDE_A;1,6-BIS-(1-HYDROXY-4-OXO-2,5-CYCLOHEXADIENE-1-ACETYL)-2,3-BIS-(BENZENEACETYL)-BETA-GLUCOPYRANOSIDE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H36O14
InChI InChI=1S/C38H36O14/c39-26-11-15-37(46,16-12-26)21-31(43)48-23-28-33(45)34(50-29(41)19-24-7-3-1-4-8-24)35(51-30(42)20-25-9-5-2-6-10-25)36(49-28)52-32(44)22-38(47)17-13-27(40)14-18-38/h1-18,28,33-36,45-47H,19-23H2/t28-,33-,34+,35-,36+/m0/s1
InChIKey SPQIICSVRHBKJU-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 716.695 g/mol
Sample ID 35170
Solvent ACETONE-D6