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O-3'-(2,3-DEHYDRO-BETA-METHYL)-VALEROYL-ALPHA-BISABOLOL_BETA-D-FUCOPYRANOSIDE
SpectraBase Compound ID 8SIBh3CSUoj
InChI InChI=1S/C27H44O6/c1-8-18(4)16-22(28)32-25-23(29)20(6)31-26(24(25)30)33-27(7,15-9-10-17(2)3)21-13-11-19(5)12-14-21/h10-11,16,20-21,23-26,29-30H,8-9,12-15H2,1-7H3/b18-16-/t20-,21+,23+,24-,25+,26+,27+/m1/s1
InChIKey VXJGQQSJNMCYDY-CNTBAFLWSA-N
Mol Weight 464.6 g/mol
Molecular Formula C27H44O6
Exact Mass 464.313789 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GB9vzULyw2J
Name O-3'-(2,3-DEHYDRO-BETA-METHYL)-VALEROYL-ALPHA-BISABOLOL_BETA-D-FUCOPYRANOSIDE
Compound Number 2D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H44O6
InChI InChI=1S/C27H44O6/c1-8-18(4)16-22(28)32-25-23(29)20(6)31-26(24(25)30)33-27(7,15-9-10-17(2)3)21-13-11-19(5)12-14-21/h10-11,16,20-21,23-26,29-30H,8-9,12-15H2,1-7H3/b18-16-/t20-,21+,23+,24-,25+,26+,27+/m1/s1
InChIKey VXJGQQSJNMCYDY-CNTBAFLWSA-N
Literature Reference Author O.TAGLIALATELA-SCAFATI,F.POLLASTRO,L.CICIONE,G.CHIANESE,M.L. BELLIDO,E.MUNOZ,H.C.
Literature Reference Citation J.NAT.PROD.,75,453(2012)
Literature Reference DOI 10.1021/np2008973
Molecular Weight 464.643 g/mol
Sample ID 40168
Solvent CDCl3