John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=7OaN03lBrXF SpectraBase Spectrum ID=39KSrFQEw4H

(accessed ).
DESACYL-JEGOSAPONIN;BARRINGTOGENOL-C-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCURO
SpectraBase Compound ID 7OaN03lBrXF
InChI InChI=1S/C54H88O25/c1-20-29(59)32(62)35(65)45(72-20)78-40-34(64)31(61)24(18-56)74-47(40)76-38-37(67)39(44(70)71)77-48(41(38)79-46-36(66)33(63)30(60)23(17-55)73-46)75-28-12-13-51(6)25(50(28,4)5)11-14-52(7)26(51)10-9-21-22-15-49(2,3)42(68)43(69)54(22,19-57)27(58)16-53(21,52)8/h9,20,22-43,45-48,55-69H,10-19H2,1-8H3,(H,70,71)/t20-,22?,23-,24+,25?,26?,27+,28-,29-,30-,31-,32+,33+,34-,35+,36-,37?,38-,39-,40+,41+,42-,43-,45-,46+,47-,48+,51-,52+,53+,54-/m0/s1
InChIKey RYALPQKRBGXULF-CWHNKBFHSA-N
Mol Weight 1137.3 g/mol
Molecular Formula C54H88O25
Exact Mass 1136.561469 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 39KSrFQEw4H
Name DESACYL-JEGOSAPONIN;BARRINGTOGENOL-C-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCURO
Compound Number 4
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H88O25
InChI InChI=1S/C54H88O25/c1-20-29(59)32(62)35(65)45(72-20)78-40-34(64)31(61)24(18-56)74-47(40)76-38-37(67)39(44(70)71)77-48(41(38)79-46-36(66)33(63)30(60)23(17-55)73-46)75-28-12-13-51(6)25(50(28,4)5)11-14-52(7)26(51)10-9-21-22-15-49(2,3)42(68)43(69)54(22,19-57)27(58)16-53(21,52)8/h9,20,22-43,45-48,55-69H,10-19H2,1-8H3,(H,70,71)/t20-,22?,23-,24+,25?,26?,27+,28-,29-,30-,31-,32+,33+,34-,35+,36-,37?,38-,39-,40+,41+,42-,43-,45-,46+,47-,48+,51-,52+,53+,54-/m0/s1
InChIKey RYALPQKRBGXULF-CWHNKBFHSA-N
Literature Reference Author M.K.WANG,H.CAI,S.L.PENG,L.S.DING,F.E.WU,Y.Z.CHEN
Literature Reference Citation PHYTOCHEM.,48,1411(1998)
Literature Reference DOI 10.1016/S0031-9422(97)00850-9
Molecular Weight 1137.278 g/mol
Solvent C5D5N
Source File Reference UWMS1515
SpectraBase Batch ID C7XhwSVMweo