John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=8Uhi6OhysD7 SpectraBase Spectrum ID=1inRwIIzL0o

(accessed ).
3-O-BETA-D-GALACTOPYRANOSYL-(1->3)-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSYLHEDERAGENIN;3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[ALPHA-L-RHAM
SpectraBase Compound ID 8Uhi6OhysD7
InChI InChI=1S/C48H78O18/c1-22-30(52)33(55)35(57)39(61-22)66-38-37(65-40-36(58)34(56)31(53)25(19-49)62-40)32(54)26(20-50)63-41(38)64-29-11-12-44(4)27(45(29,5)21-51)10-13-47(7)28(44)9-8-23-24-18-43(2,3)14-16-48(24,42(59)60)17-15-46(23,47)6/h8,22,24-41,49-58H,9-21H2,1-7H3,(H,59,60)/t22-,24-,25-,26-,27+,28+,29-,30-,31-,32-,33+,34+,35+,36-,37+,38-,39-,40+,41+,44-,45-,46+,47+,48-/m0/s1
InChIKey GNMYBPAGSLLGSK-VAPDYPLXSA-N
Mol Weight 943.1 g/mol
Molecular Formula C48H78O18
Exact Mass 942.518816 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1inRwIIzL0o
Name 3-O-BETA-D-GALACTOPYRANOSYL-(1->3)-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSYLHEDERAGENIN;3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[ALPHA-L-RHAM
Compound Number 10
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H78O18
InChI InChI=1S/C48H78O18/c1-22-30(52)33(55)35(57)39(61-22)66-38-37(65-40-36(58)34(56)31(53)25(19-49)62-40)32(54)26(20-50)63-41(38)64-29-11-12-44(4)27(45(29,5)21-51)10-13-47(7)28(44)9-8-23-24-18-43(2,3)14-16-48(24,42(59)60)17-15-46(23,47)6/h8,22,24-41,49-58H,9-21H2,1-7H3,(H,59,60)/t22-,24-,25-,26-,27+,28+,29-,30-,31-,32-,33+,34+,35+,36-,37+,38-,39-,40+,41+,44-,45-,46+,47+,48-/m0/s1
InChIKey GNMYBPAGSLLGSK-VAPDYPLXSA-N
Literature Reference Author L.JAYASINGHE,H.SHIMADA,N.HARA,Y.FUJIMOTO
Literature Reference Citation PHYTOCHEM.,40,891(1995)
Literature Reference DOI 10.1016/0031-9422(95)00360-J
Molecular Weight 943.137 g/mol
Solvent CD3OD
Source File Reference UWMS2572
SpectraBase Batch ID 5ka90flXhlq