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PEDUNCULOSIMOSIDE_D;5'-(3-METHYL-2-BUTEN-1-YL)-OPHIOGLONOL_7-O-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID BKBgmPhtkRl
InChI InChI=1S/C27H30O12/c1-11(2)3-4-12-5-13(6-17(31)21(12)32)26-15(9-28)22(33)20-16(30)7-14(8-18(20)38-26)37-27-25(36)24(35)23(34)19(10-29)39-27/h3,5-8,19,23-25,27-32,34-36H,4,9-10H2,1-2H3/t19-,23-,24+,25-,27-/m0/s1
InChIKey TTYVGHVGKPQQDZ-JCBMWCCKSA-N
Mol Weight 546.53 g/mol
Molecular Formula C27H30O12
Exact Mass 546.173726 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID adiILRwir7
Name PEDUNCULOSIMOSIDE_D;5'-(3-METHYL-2-BUTEN-1-YL)-OPHIOGLONOL_7-O-BETA-D-GLUCOPYRANOSIDE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H30O12
InChI InChI=1S/C27H30O12/c1-11(2)3-4-12-5-13(6-17(31)21(12)32)26-15(9-28)22(33)20-16(30)7-14(8-18(20)38-26)37-27-25(36)24(35)23(34)19(10-29)39-27/h3,5-8,19,23-25,27-32,34-36H,4,9-10H2,1-2H3/t19-,23-,24+,25-,27-/m0/s1
InChIKey TTYVGHVGKPQQDZ-JCBMWCCKSA-N
Literature Reference Author C.X.WAN,P.H.ZHANG,J.G.LUO,L.Y.KONG
Literature Reference Citation J.NAT.PROD.,74,683(2011)
Literature Reference DOI 10.1021/np100745z
Molecular Weight 546.528 g/mol
Sample ID 37258
Solvent DMSO-D6