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JACAGLABROSIDE_B;1,6-BIS-(1-HYDROXY-4-OXO-2,5-CYCLOHEXADIENE-1-ACETYL)-2-BENZENEACETYL-BETA-GLUCOPYRANOSIDE
SpectraBase Compound ID 7K0BfJbf1Sj
InChI InChI=1S/C30H30O13/c31-19-6-10-29(38,11-7-19)15-23(34)40-17-21-25(36)26(37)27(42-22(33)14-18-4-2-1-3-5-18)28(41-21)43-24(35)16-30(39)12-8-20(32)9-13-30/h1-13,21,25-28,36-39H,14-17H2/t21-,25-,26+,27-,28+/m1/s1
InChIKey AIFVFVGRWAMEBM-GSQIWVKLSA-N
Mol Weight 598.56 g/mol
Molecular Formula C30H30O13
Exact Mass 598.168641 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5rUCBAIyqf0
Name JACAGLABROSIDE_B;1,6-BIS-(1-HYDROXY-4-OXO-2,5-CYCLOHEXADIENE-1-ACETYL)-2-BENZENEACETYL-BETA-GLUCOPYRANOSIDE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H30O13
InChI InChI=1S/C30H30O13/c31-19-6-10-29(38,11-7-19)15-23(34)40-17-21-25(36)26(37)27(42-22(33)14-18-4-2-1-3-5-18)28(41-21)43-24(35)16-30(39)12-8-20(32)9-13-30/h1-13,21,25-28,36-39H,14-17H2/t21-,25-,26+,27-,28+/m1/s1
InChIKey AIFVFVGRWAMEBM-GSQIWVKLSA-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 598.560 g/mol
Sample ID 35171
Solvent ACETONE-D6