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BETA-OXOACTEOSIDE
SpectraBase Compound ID 2TmVTKaXJ5D
InChI InChI=1S/C29H34O16/c1-12-22(37)23(38)24(39)29(42-12)45-27-25(40)28(41-11-19(35)14-4-6-16(32)18(34)9-14)43-20(10-30)26(27)44-21(36)7-3-13-2-5-15(31)17(33)8-13/h2-9,12,20,22-34,37-40H,10-11H2,1H3/b7-3+/t12-,20-,22-,23+,24+,25-,26-,27-,28-,29-/m0/s1
InChIKey QKMLPSOMRMIAPR-DQWZYSQBSA-N
Mol Weight 638.6 g/mol
Molecular Formula C29H34O16
Exact Mass 638.184685 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4zXASO46V0c
Name BETA-OXOACETOSIDE;BETA-OXO-BETA-(3,4-DIHYDORXYPHEYNL)-ETHYL-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BETA-D-(4-O-CAFFEOYL)-GLUCOPYRANOSIDE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H34O16
InChI InChI=1S/C29H34O16/c1-12-22(37)23(38)24(39)29(42-12)45-27-25(40)28(41-11-19(35)14-4-6-16(32)18(34)9-14)43-20(10-30)26(27)44-21(36)7-3-13-2-5-15(31)17(33)8-13/h2-9,12,20,22-34,37-40H,10-11H2,1H3/b7-3+/t12-,20-,22-,23+,24+,25-,26-,27-,28-,29-/m0/s1
InChIKey QKMLPSOMRMIAPR-DQWZYSQBSA-N
Literature Reference Author S.NISHIBE,M.SASAHARA,J.YIANG,Y.C.LU,T.TANAKA
Literature Reference Citation PHYTOCHEM.,32,975(1993)
Literature Reference DOI 10.1016/0031-9422(93)85238-M
Molecular Weight 638.579 g/mol
Solvent CD3OD
Source File Reference UWLU6273