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FREHMAGLUTOSIDE-I;(7E,9E)-7-[(1R,2R,5S)-TRIHYDROXY-2,6,6-TRIMETHYLCYCLOHEXANE]-9-METHYLPENTA-7,9-DIENOIC-11-METHOXY-5-O-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 2FWTfOg6gq8
InChI InChI=1S/C22H38O9/c1-13(8-11-29-5)6-10-22(28)20(2,3)15(7-9-21(22,4)27)31-19-18(26)17(25)16(24)14(12-23)30-19/h6,8,10,14-19,23-28H,7,9,11-12H2,1-5H3/b10-6+,13-8+/t14-,15-,16-,17+,18-,19+,21+,22+/m0/s1
InChIKey JAYXDKXXHBYYMB-WWLDUIGMSA-N
Mol Weight 446.5 g/mol
Molecular Formula C22H38O9
Exact Mass 446.251583 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3kulUm2IuKs
Name FREHMAGLUTOSIDE-I;(7E,9E)-7-[(1R,2R,5S)-TRIHYDROXY-2,6,6-TRIMETHYLCYCLOHEXANE]-9-METHYLPENTA-7,9-DIENOIC-11-METHOXY-5-O-BETA-D-GLUCOPYRANOSIDE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H38O9
InChI InChI=1S/C22H38O9/c1-13(8-11-29-5)6-10-22(28)20(2,3)15(7-9-21(22,4)27)31-19-18(26)17(25)16(24)14(12-23)30-19/h6,8,10,14-19,23-28H,7,9,11-12H2,1-5H3/b10-6+,13-8+/t14-,15-,16-,17+,18-,19+,21+,22+/m0/s1
InChIKey JAYXDKXXHBYYMB-WWLDUIGMSA-N
Literature Reference Author M.LI,X.WANG,X.ZHENG,J.WANG,W.ZHAO,K.SONG,X.ZHAO,Y.ZHANG,H.KU ANG,W.FENG
Literature Reference Citation MOLECULES,20,15192(2015)
Literature Reference DOI 10.3390/molecules200815192
Molecular Weight 446.538 g/mol
Solvent CD3OD
Source File Reference UWPA5020