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ALPHA-BISABOLOL-2,3,4-TRI-O-BENZOYL-ALPHA-L-RHAMNOPYRANOSIDE
SpectraBase Compound ID 14TS9iKq4lG
InChI InChI=1S/C42H48O8/c1-28(2)16-15-27-42(5,34-25-23-29(3)24-26-34)50-41-37(49-40(45)33-21-13-8-14-22-33)36(48-39(44)32-19-11-7-12-20-32)35(30(4)46-41)47-38(43)31-17-9-6-10-18-31/h6-14,16-23,30,34-37,41H,15,24-27H2,1-5H3/t30-,34-,35-,36+,37+,41-,42-/m0/s1
InChIKey HPCCEYYWSQNPCX-OVRTZKFLSA-N
Mol Weight 680.8 g/mol
Molecular Formula C42H48O8
Exact Mass 680.334918 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EQtT7iu7dm9
Name ALPHA-BISABOLOL-2,3,4-TRI-O-BENZOYL-ALPHA-L-RHAMNOPYRANOSIDE
Compound Number 6A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H48O8
InChI InChI=1S/C42H48O8/c1-28(2)16-15-27-42(5,34-25-23-29(3)24-26-34)50-41-37(49-40(45)33-21-13-8-14-22-33)36(48-39(44)32-19-11-7-12-20-32)35(30(4)46-41)47-38(43)31-17-9-6-10-18-31/h6-14,16-23,30,34-37,41H,15,24-27H2,1-5H3/t30-,34-,35-,36+,37+,41-,42-/m0/s1
InChIKey HPCCEYYWSQNPCX-OVRTZKFLSA-N
Literature Reference Author M.PIOCHON,J.LEGAULT,C.GAUTHIER,A.PICHETTE
Literature Reference Citation PHYTOCHEM.,70,228(2009)
Literature Reference DOI 10.1016/j.phytochem.2008.11.013
Molecular Weight 680.838 g/mol
Sample ID 63980
Solvent CDCl3