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ILEXOSIDE-XXXVI;3-O-BETA-D-GLUCOPYRANOSYL-ROTUNGENIC-ACID-28-O-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 40iXlybg6lt
InChI InChI=1S/C42H68O15/c1-20-9-14-42(36(52)57-35-32(51)30(49)28(47)23(18-44)55-35)16-15-39(4)21(33(42)41(20,6)53)7-8-25-37(2)12-11-26(38(3,19-45)24(37)10-13-40(25,39)5)56-34-31(50)29(48)27(46)22(17-43)54-34/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 BTGWDXCTCFDPBM-QWTIDRIGSA-N
Mol Weight 813.0 g/mol
Molecular Formula C42H68O15
Exact Mass 812.455821 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FbXRxNjQdGy
Name ILEXOSIDE-XXXVII;3-O-BETA-D-GLUCOPYRANOSYL-ROTUNDIC-ACID-28-O-BETA-D-GLUCOPYRANOSIDE
Compound Number 7
Copyright Copyright © 2016-2024 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)55-35)16-15-39(4)21(33(42)41(20,6)53)7-8-25-37(2)12-11-26(38(3,19-45)24(37)10-13-40(25,39)5)56-34-31(50)29(48)27(46)22(17-43)54-34/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 BTGWDXCTCFDPBM-QWTIDRIGSA-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