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OLEANOLIC_ACID-3-O-[BETA-D-GLUCURONOPYRANOSIDE]-28-O-BETA-D-GLUCOPYRANOSIDE;CHIKUSETSUSAPONIN_IVA
SpectraBase Compound ID B86tOV7Fioe
InChI InChI=1S/C42H66O14/c1-37(2)14-16-42(36(52)56-34-30(48)27(45)26(44)22(19-43)53-34)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-31(49)28(46)29(47)32(55-35)33(50)51/h8,21-32,34-35,43-49H,9-19H2,1-7H3,(H,50,51)/t21-,22+,23-,24+,25-,26+,27-,28-,29-,30+,31+,32-,34-,35+,39?,40?,41?,42-/m0/s1
InChIKey YOSRLTNUOCHBEA-VRKYDNHHSA-N
Mol Weight 795.0 g/mol
Molecular Formula C42H66O14
Exact Mass 794.445257 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5VGMFYsw9Sl
Name 3-O-BETA-D-GLUCURONOPYRANOSYL-28-O-BETA-D-GLUCOPYRANOSYL-OLEANATE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H66O14
InChI InChI=1S/C42H66O14/c1-37(2)14-16-42(36(52)56-34-30(48)27(45)26(44)22(19-43)53-34)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-31(49)28(46)29(47)32(55-35)33(50)51/h8,21-32,34-35,43-49H,9-19H2,1-7H3,(H,50,51)/t21-,22+,23-,24+,25-,26+,27-,28-,29-,30+,31+,32-,34-,35+,39?,40?,41?,42-/m0/s1
InChIKey YOSRLTNUOCHBEA-VRKYDNHHSA-N
Literature Reference Author F.CRESPIN,E.OLLIVER,C.LAVAUD,A.BABDJAMIAN,R.FAURE,L.DEBRAUWE R,G.BALANSARD,G.BOUD
Literature Reference Citation PHYTOCHEM.,33,657(1993)
Literature Reference DOI 10.1016/0031-9422(93)85468-7
Molecular Weight 794.978 g/mol
Solvent CD3OD
Source File Reference UWVN6521