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TRANS-IRESINOSIDE-PERMETHYLATED

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TRANS-IRESINOSIDE-PERMETHYLATED
SpectraBase Compound ID IpJPMk1RllO
InChI InChI=1S/C31H34O12/c1-38-19-9-4-17(5-10-19)6-11-21-14-23(42-31-29(36)28(35)27(34)24(16-32)43-31)26(30(37)41-21)22(15-25(33)40-3)18-7-12-20(39-2)13-8-18/h4-14,22,24,27-29,31-32,34-36H,15-16H2,1-3H3/b11-6+/t22?,24-,27-,28+,29-,31-/m0/s1
InChIKey DJXGLFZZGJMNBB-PLRIBRRZSA-N
Mol Weight 598.6 g/mol
Molecular Formula C31H34O12
Exact Mass 598.205027 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LyPMwTrp73G
Name TRANS-IRESINOSIDE-PERMETHYLATED
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H34O12
InChI InChI=1S/C31H34O12/c1-38-19-9-4-17(5-10-19)6-11-21-14-23(42-31-29(36)28(35)27(34)24(16-32)43-31)26(30(37)41-21)22(15-25(33)40-3)18-7-12-20(39-2)13-8-18/h4-14,22,24,27-29,31-32,34-36H,15-16H2,1-3H3/b11-6+/t22?,24-,27-,28+,29-,31-/m0/s1
InChIKey DJXGLFZZGJMNBB-PLRIBRRZSA-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 598.604 g/mol
Solvent DMSO-D6
Source File Reference UWVN4977