John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=CmrrqNOBgL6 SpectraBase Spectrum ID=1L2Q9UBem2X

(accessed ).
DAVURICOSIDE-I;3-BETA,16-ALPHA,28,29-TETRAHYDROXY-OLEAN-12-EN-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSIDE
SpectraBase Compound ID CmrrqNOBgL6
InChI InChI=1S/C42H68O15/c1-37(2)23-9-12-40(5)24(8-7-20-21-15-38(3,18-44)13-14-42(21,19-45)25(46)16-41(20,40)6)39(23,4)11-10-26(37)55-36-33(30(50)29(49)32(56-36)34(52)53)57-35-31(51)28(48)27(47)22(17-43)54-35/h7,21-33,35-36,43-51H,8-19H2,1-6H3,(H,52,53)/t21-,22+,23-,24+,25+,26-,27+,28-,29-,30-,31+,32-,33+,35-,36+,38+,39-,40+,41+,42+/m0/s1
InChIKey DZQWFQJUTBWJJV-DRXJTNDPSA-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 1L2Q9UBem2X
Name DAVURICOSIDE-I;3-BETA,16-ALPHA,28,29-TETRAHYDROXY-OLEAN-12-EN-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSIDE
Compound Number 1
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H68O15
InChI InChI=1S/C42H68O15/c1-37(2)23-9-12-40(5)24(8-7-20-21-15-38(3,18-44)13-14-42(21,19-45)25(46)16-41(20,40)6)39(23,4)11-10-26(37)55-36-33(30(50)29(49)32(56-36)34(52)53)57-35-31(51)28(48)27(47)22(17-43)54-35/h7,21-33,35-36,43-51H,8-19H2,1-6H3,(H,52,53)/t21-,22+,23-,24+,25+,26-,27+,28-,29-,30-,31+,32-,33+,35-,36+,38+,39-,40+,41+,42+/m0/s1
InChIKey DZQWFQJUTBWJJV-DRXJTNDPSA-N
Literature Reference Author J.K.TIAN,Z.M.ZOU,L.Z.XU,G.H.TU,H.W.ZHANG,S.L.YANG,D.G.AN
Literature Reference Citation CHIN.CHEM.LETT.,16,212(2005)
Molecular Weight 812.993 g/mol
Sample ID 35735
Solvent C5D5N
SpectraBase Batch ID 97Nt6tjLyx8