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MILLETTIASPECOSIDE-A;2-METHOXY-4-HYDROXYPHENYL-1-O-BETA-D-[5-O-(4-HYDROXY-3-METHOXYBENZOYL)]-APIOFURANOSYL-(1->2)-BETA-D-GLUCOPYRANOSIDE

View entire compound with spectra: 1 NMR

MILLETTIASPECOSIDE-A;2-METHOXY-4-HYDROXYPHENYL-1-O-BETA-D-[5-O-(4-HYDROXY-3-METHOXYBENZOYL)]-APIOFURANOSYL-(1->2)-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 5f6BnfTBT1B
InChI InChI=1S/C26H32O15/c1-35-16-7-12(3-5-14(16)29)23(33)37-10-26(34)11-38-25(22(26)32)41-21-20(31)19(30)18(9-27)40-24(21)39-15-6-4-13(28)8-17(15)36-2/h3-8,18-22,24-25,27-32,34H,9-11H2,1-2H3/t18-,19-,20+,21-,22+,24-,25+,26-/m1/s1
InChIKey KWXMBUMKDBAWGQ-JUKYQPCLSA-N
Mol Weight 584.5 g/mol
Molecular Formula C26H32O15
Exact Mass 584.17412 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6YW42eW4dwG
Name MILLETTIASPECOSIDE-A;2-METHOXY-4-HYDROXYPHENYL-1-O-BETA-D-[5-O-(4-HYDROXY-3-METHOXYBENZOYL)]-APIOFURANOSYL-(1->2)-BETA-D-GLUCOPYRANOSIDE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H32O15
InChI InChI=1S/C26H32O15/c1-35-16-7-12(3-5-14(16)29)23(33)37-10-26(34)11-38-25(22(26)32)41-21-20(31)19(30)18(9-27)40-24(21)39-15-6-4-13(28)8-17(15)36-2/h3-8,18-22,24-25,27-32,34H,9-11H2,1-2H3/t18-,19-,20+,21-,22+,24-,25+,26-/m1/s1
InChIKey KWXMBUMKDBAWGQ-JUKYQPCLSA-N
Literature Reference Author T.YIN,G.TU,Q.ZHANG,B.WANG,Y.ZHAO
Literature Reference Citation MAGN.RES.CHEM.,46,387(2008)
Literature Reference DOI 10.1002/mrc.2189
Molecular Weight 584.531 g/mol
Solvent DMSO-D6
Source File Reference UWIR17471