For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-BETA-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BETA-GLUCURONOPYRANOSYL]-2-BETA,3-BETA-DIHYDROXYOLEAN-12-EN-28-OIC-ACID-28-O-[BETA-D-GLUCOPYRANOSYL]-ESTER
SpectraBase Compound ID Lbx6Lv32Ka5
InChI InChI=1S/C48H76O19/c1-20-27(51)29(53)31(55)39(62-20)64-35-33(57)36(38(59)60)65-41(34(35)58)66-37-23(50)18-45(6)25(44(37,4)5)11-12-47(8)26(45)10-9-21-22-17-43(2,3)13-15-48(22,16-14-46(21,47)7)42(61)67-40-32(56)30(54)28(52)24(19-49)63-40/h9,20,22-37,39-41,49-58H,10-19H2,1-8H3,(H,59,60)/t20-,22?,23-,24+,25?,26?,27-,28+,29+,30-,31+,32+,33-,34+,35-,36-,37-,39-,40-,41-,45-,46+,47+,48-/m0/s1
InChIKey ITPLQPXCONKMAX-KVUCXZAYSA-N
Mol Weight 957.1 g/mol
Molecular Formula C48H76O19
Exact Mass 956.49808 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8a76UcgrHIf
Name 3-BETA-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BETA-GLUCURONOPYRANOSYL]-2-BETA,3-BETA-DIHYDROXYOLEAN-12-EN-28-OIC-ACID-28-O-[BETA-D-GLUCOPYRANOSYL]-ESTER
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H76O19
InChI InChI=1S/C48H76O19/c1-20-27(51)29(53)31(55)39(62-20)64-35-33(57)36(38(59)60)65-41(34(35)58)66-37-23(50)18-45(6)25(44(37,4)5)11-12-47(8)26(45)10-9-21-22-17-43(2,3)13-15-48(22,16-14-46(21,47)7)42(61)67-40-32(56)30(54)28(52)24(19-49)63-40/h9,20,22-37,39-41,49-58H,10-19H2,1-8H3,(H,59,60)/t20-,22?,23-,24+,25?,26?,27-,28+,29+,30-,31+,32+,33-,34+,35-,36-,37-,39-,40-,41-,45-,46+,47+,48-/m0/s1
InChIKey ITPLQPXCONKMAX-KVUCXZAYSA-N
Literature Reference Author M.JUNKUSZEW,W.OLESZEK,M.JURZYSTA,S.PIANCENTE,C.PIZZA
Literature Reference Citation PHYTOCHEM.,49,195(1998)
Literature Reference DOI 10.1016/S0031-9422(97)00904-7
Molecular Weight 957.120 g/mol
Solvent CD3OD
Source File Reference UWLU66