John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=LjhCOgKVUCD SpectraBase Spectrum ID=1Ko5tOkSHzt

(accessed ).
3-O-BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL-21-BETA,22-ALPHA-DI-O-ANGELOYL-BARRINGTOGENOL-C
SpectraBase Compound ID LjhCOgKVUCD
InChI InChI=1S/C52H80O18/c1-12-24(3)43(63)69-40-41(70-44(64)25(4)13-2)52(23-54)27(20-47(40,5)6)26-14-15-30-49(9)18-17-32(48(7,8)29(49)16-19-50(30,10)51(26,11)21-31(52)55)66-46-39(36(59)35(58)38(67-46)42(61)62)68-45-37(60)34(57)33(56)28(22-53)65-45/h12-14,27-41,45-46,53-60H,15-23H2,1-11H3,(H,61,62)/b24-12-,25-13-/t27-,28+,29-,30+,31+,32-,33-,34-,35-,36-,37+,38-,39+,40-,41-,45-,46+,49-,50+,51+,52-/m0/s1
InChIKey QTDFVKLHPCWWRP-ZIZUJDOHSA-N
Mol Weight 993.2 g/mol
Molecular Formula C52H80O18
Exact Mass 992.534466 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 1Ko5tOkSHzt
Name 3-O-BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL-21-BETA,22-ALPHA-DI-O-ANGELOYL-BARRINGTOGENOL-C
Compound Number 1
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H80O18
InChI InChI=1S/C52H80O18/c1-12-24(3)43(63)69-40-41(70-44(64)25(4)13-2)52(23-54)27(20-47(40,5)6)26-14-15-30-49(9)18-17-32(48(7,8)29(49)16-19-50(30,10)51(26,11)21-31(52)55)66-46-39(36(59)35(58)38(67-46)42(61)62)68-45-37(60)34(57)33(56)28(22-53)65-45/h12-14,27-41,45-46,53-60H,15-23H2,1-11H3,(H,61,62)/b24-12-,25-13-/t27-,28+,29-,30+,31+,32-,33-,34-,35-,36-,37+,38-,39+,40-,41-,45-,46+,49-,50+,51+,52-/m0/s1
InChIKey QTDFVKLHPCWWRP-ZIZUJDOHSA-N
Literature Reference Author L.VOUTQUENNE,P.GUINOT,C.FROISSARD,O.THOISON,M.LITAUDON,C.LAV AUD
Literature Reference Citation PHYTOCHEM.,66,825(2005)
Literature Reference DOI 10.1016/j.phytochem.2005.02.009
Molecular Weight 993.196 g/mol
Solvent CD3OD
Source File Reference UWLU32545
SpectraBase Batch ID EKWgjGtkBTO