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AGERATOSIDE-A1;3-O-[O-BETA-D-XYLOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL]-2-BETA,3-BETA,16-ALPHA-TRIHYDROXYOLEAN-12-ENE-23,28-DIOIC-ACID-28-O-BETA-D

Compound with spectra: 1 NMR

AGERATOSIDE-A1;3-O-[O-BETA-D-XYLOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL]-2-BETA,3-BETA,16-ALPHA-TRIHYDROXYOLEAN-12-ENE-23,28-DIOIC-ACID-28-O-BETA-D
SpectraBase Compound ID CmOSVLbkdYd
InChI InChI=1S/C59H92O29/c1-23-40(82-24(2)62)42(85-50-44(73)58(77,21-61)22-80-50)39(72)48(81-23)86-43-35(68)29(65)20-79-49(43)88-52(76)59-14-13-53(3,4)15-26(59)25-9-10-31-54(5)16-27(63)45(57(8,51(74)75)32(54)11-12-55(31,6)56(25,7)17-33(59)66)87-47-38(71)36(69)41(30(18-60)83-47)84-46-37(70)34(67)28(64)19-78-46/h9,23,26-50,60-61,63-73,77H,10-22H2,1-8H3,(H,74,75)/t23-,26?,27-,28-,29-,30+,31?,32?,33+,34+,35-,36+,37-,38+,39+,40-,41+,42-,43+,44-,45-,46+,47-,48-,49-,50-,54+,55+,56+,57-,58+,59+/m0/s1
InChIKey GWTPUBSURQRZBM-KHNZZAKZSA-N
Mol Weight 1265.4 g/mol
Molecular Formula C59H92O29
Exact Mass 1264.572427 g/mol
Enantiomer InChIKey GWTPUBSURQRZBM-YDIQLCPNSA-N

View Spectrum of AGERATOSIDE-A1;3-O-[O-BETA-D-XYLOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL]-2-BETA,3-BETA,16-ALPHA-TRIHYDROXYOLEAN-12-ENE-23,28-DIOIC-ACID-28-O-BETA-D

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent C5D5N
Title Journal or Book Year
Triterpenoid saponins from the ground part of Aster ageratoides var. ovatus Phytochemistry 1999
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