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

*Links on SpectraBase are not permalinks.
SCABEROSIDE-B3;3-O-BETA-[(6-O-METHYL)-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-[RHAMNOPYRANOSYL-(1->2)-ARABINOPYRANOSYL]-ESTER
SpectraBase Compound ID E5CfUHuYfxo
InChI InChI=1S/C48H76O17/c1-22-29(50)31(52)34(55)39(61-22)64-37-30(51)25(49)21-60-41(37)65-42(58)48-18-16-43(2,3)20-24(48)23-10-11-27-45(6)14-13-28(62-40-35(56)32(53)33(54)36(63-40)38(57)59-9)44(4,5)26(45)12-15-47(27,8)46(23,7)17-19-48/h10,22,24-37,39-41,49-56H,11-21H2,1-9H3/t22-,24?,25-,26?,27?,28-,29-,30-,31+,32-,33-,34+,35+,36-,37+,39-,40+,41-,45-,46+,47+,48-/m0/s1
InChIKey TTZFCIQUMHEIMS-KZFIWDIHSA-N
Mol Weight 925.1 g/mol
Molecular Formula C48H76O17
Exact Mass 924.508251 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 PFUpxi3gaP
Name SCABEROSIDE-B3;3-O-BETA-[(6-O-METHYL)-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-[RHAMNOPYRANOSYL-(1->2)-ARABINOPYRANOSYL]-ESTER
Compound Number 38
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H76O17
InChI InChI=1S/C48H76O17/c1-22-29(50)31(52)34(55)39(61-22)64-37-30(51)25(49)21-60-41(37)65-42(58)48-18-16-43(2,3)20-24(48)23-10-11-27-45(6)14-13-28(62-40-35(56)32(53)33(54)36(63-40)38(57)59-9)44(4,5)26(45)12-15-47(27,8)46(23,7)17-19-48/h10,22,24-37,39-41,49-56H,11-21H2,1-9H3/t22-,24?,25-,26?,27?,28-,29-,30-,31+,32-,33-,34+,35+,36-,37+,39-,40+,41-,45-,46+,47+,48-/m0/s1
InChIKey TTZFCIQUMHEIMS-KZFIWDIHSA-N
Literature Reference Author N.TAN,J.ZHOU,S.ZHAO
Literature Reference Citation PHYTOCHEM.,52,153(1999)
Literature Reference DOI 10.1016/S0031-9422(98)00454-3
Molecular Weight 925.121 g/mol
Solvent C5D5N
Source File Reference UWVN1232