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

*Links on SpectraBase are not permalinks.
3-O-BETA-[GALACTOPYRANOSYL-(1->2)-GLUCURONOPYRANOSYL]-HEDERAGENIN
SpectraBase Compound ID 3h5rJ2KxQEX
InChI InChI=1S/C42H66O15/c1-37(2)13-15-42(36(52)53)16-14-40(5)20(21(42)17-37)7-8-24-38(3)11-10-25(39(4,19-44)23(38)9-12-41(24,40)6)55-35-32(29(48)28(47)31(56-35)33(50)51)57-34-30(49)27(46)26(45)22(18-43)54-34/h7,21-32,34-35,43-49H,8-19H2,1-6H3,(H,50,51)(H,52,53)/t21?,22-,23?,24?,25+,26+,27+,28+,29+,30-,31+,32-,34+,35-,38+,39+,40-,41-,42+/m1/s1
InChIKey MCLUQKRKQOMREQ-TZFQQYBRSA-N
Mol Weight 811.0 g/mol
Molecular Formula C42H66O15
Exact Mass 810.440171 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 HMTOc6h4Wnv
Name 3-O-BETA-[GALACTOPYRANOSYL-(1->2)-GLUCURONOPYRANOSYL]-HEDERAGENIN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H66O15
InChI InChI=1S/C42H66O15/c1-37(2)13-15-42(36(52)53)16-14-40(5)20(21(42)17-37)7-8-24-38(3)11-10-25(39(4,19-44)23(38)9-12-41(24,40)6)55-35-32(29(48)28(47)31(56-35)33(50)51)57-34-30(49)27(46)26(45)22(18-43)54-34/h7,21-32,34-35,43-49H,8-19H2,1-6H3,(H,50,51)(H,52,53)/t21?,22-,23?,24?,25+,26+,27+,28+,29+,30-,31+,32-,34+,35-,38+,39+,40-,41-,42+/m1/s1
InChIKey MCLUQKRKQOMREQ-TZFQQYBRSA-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 810.977 g/mol
Solvent C5D5N
Source File Reference UWVN1135