John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=6cuSDrnqiHB SpectraBase Spectrum ID=282WoKPmHxK

(accessed ).
ILEXOSIDE-XXXVIII;23-O-BETA-D-GLUCOPYRANOSYL-ROTUNDIC-ACID-28-O-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 6cuSDrnqiHB
InChI InChI=1S/C42H68O15/c1-20-9-14-42(36(52)57-35-32(51)30(49)28(47)23(18-44)56-35)16-15-39(4)21(33(42)41(20,6)53)7-8-25-37(2)12-11-26(45)38(3,24(37)10-13-40(25,39)5)19-54-34-31(50)29(48)27(46)22(17-43)55-34/h7,20,22-35,43-51,53H,8-19H2,1-6H3/t20-,22-,23-,24-,25-,26+,27-,28-,29+,30+,31-,32-,33-,34-,35+,37+,38+,39-,40-,41-,42+/m1/s1
InChIKey JVRZZURHZAZBGH-VWALQMDWSA-N
Mol Weight 813.0 g/mol
Molecular Formula C42H68O15
Exact Mass 812.455822 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 282WoKPmHxK
Name ILEXOSIDE-XXXVIII;23-O-BETA-D-GLUCOPYRANOSYL-ROTUNDIC-ACID-28-O-BETA-D-GLUCOPYRANOSIDE
Compound Number 8
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H68O15
InChI InChI=1S/C42H68O15/c1-20-9-14-42(36(52)57-35-32(51)30(49)28(47)23(18-44)56-35)16-15-39(4)21(33(42)41(20,6)53)7-8-25-37(2)12-11-26(45)38(3,24(37)10-13-40(25,39)5)19-54-34-31(50)29(48)27(46)22(17-43)55-34/h7,20,22-35,43-51,53H,8-19H2,1-6H3/t20-,22-,23-,24-,25-,26+,27-,28-,29+,30+,31-,32-,33-,34-,35+,37+,38+,39-,40-,41-,42+/m1/s1
InChIKey JVRZZURHZAZBGH-VWALQMDWSA-N
Literature Reference Author K.AMIMOTO,K.YOSHIKAWA,S.ARIHARA
Literature Reference Citation PHYTOCHEM.,33,1475(1993)
Literature Reference DOI 10.1016/0031-9422(93)85114-7
Molecular Weight 812.993 g/mol
Solvent PYRIDINE-D5
SpectraBase Batch ID BDxmsdfPh1u