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TRANS-IRESINOSIDE;MAJOR-ISOMER

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TRANS-IRESINOSIDE;MAJOR-ISOMER
SpectraBase Compound ID LJTQ9iUtL5U
InChI InChI=1S/C28H28O12/c29-13-21-24(34)25(35)26(36)28(40-21)39-20-11-18(10-3-14-1-6-16(30)7-2-14)38-27(37)23(20)19(12-22(32)33)15-4-8-17(31)9-5-15/h1-11,19,21,24-26,28-31,34-36H,12-13H2,(H,32,33)/b10-3+/t19?,21-,24-,25+,26-,28-/m0/s1
InChIKey YGQAEFBMVJLDIV-YOYQJSBHSA-N
Mol Weight 556.52 g/mol
Molecular Formula C28H28O12
Exact Mass 556.158076 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LkQwtIgbgOE
Name TRANS-IRESINOSIDE;MAJOR-ISOMER
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H28O12
InChI InChI=1S/C28H28O12/c29-13-21-24(34)25(35)26(36)28(40-21)39-20-11-18(10-3-14-1-6-16(30)7-2-14)38-27(37)23(20)19(12-22(32)33)15-4-8-17(31)9-5-15/h1-11,19,21,24-26,28-31,34-36H,12-13H2,(H,32,33)/b10-3+/t19?,21-,24-,25+,26-,28-/m0/s1
InChIKey YGQAEFBMVJLDIV-YOYQJSBHSA-N
Literature Reference Author Y.SHIOBARA,S.S.INOUE,Y.NISHIGUCHI,K.KATO,T.TAKEMOTO,N.NISHIM OTO,F.D.OLIVEIRA,G.A
Literature Reference Citation PHYTOCHEM.,31,953(1992)
Literature Reference DOI 10.1016/0031-9422(92)80046-h
Molecular Weight 556.523 g/mol
Solvent DMSO-D6
Source File Reference UWVN4975