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6-O-SINAPOYL-SCANDOSIDE-METHYLESTER
SpectraBase Compound ID 3WYpIh9kdGz
InChI InChI=1S/C28H34O15/c1-37-16-6-12(7-17(38-2)22(16)32)4-5-19(31)41-15-8-13(9-29)20-21(15)14(26(36)39-3)11-40-27(20)43-28-25(35)24(34)23(33)18(10-30)42-28/h4-8,11,15,18,20-21,23-25,27-30,32-35H,9-10H2,1-3H3/b5-4+/t15-,18+,20-,21+,23+,24-,25+,27+,28-/m1/s1
InChIKey ATOHZGZSAVGZEK-VZSAHXEBSA-N
Mol Weight 610.6 g/mol
Molecular Formula C28H34O15
Exact Mass 610.18977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Ph3W9j3ZfW
Name 6-O-SINAPOYL-SCANDOSIDE-METHYLESTER
Compound Number 268
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H34O15
InChI InChI=1S/C28H34O15/c1-37-16-6-12(7-17(38-2)22(16)32)4-5-19(31)41-15-8-13(9-29)20-21(15)14(26(36)39-3)11-40-27(20)43-28-25(35)24(34)23(33)18(10-30)42-28/h4-8,11,15,18,20-21,23-25,27-30,32-35H,9-10H2,1-3H3/b5-4+/t15-,18+,20-,21+,23+,24-,25+,27+,28-/m1/s1
InChIKey ATOHZGZSAVGZEK-VZSAHXEBSA-N
Literature Reference Author B.DINDA,S.DEBNATH,Y.HARIGAYA
Literature Reference Citation CHEM.PHARM.BULL.,55,159(2007)
Literature Reference DOI 10.1248/cpb.55.159
Molecular Weight 610.569 g/mol
Sample ID 38064
Solvent CD3OD