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

*Links on SpectraBase are not permalinks.
PATENSIN;HEDERAGENIN_3-O-BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 6i9eS1kvuZt
InChI InChI=1S/C42H68O14/c1-37(2)13-15-42(36(51)52)16-14-40(5)21(22(42)17-37)7-8-26-38(3)11-10-27(39(4,20-45)25(38)9-12-41(26,40)6)55-35-33(31(49)29(47)24(19-44)54-35)56-34-32(50)30(48)28(46)23(18-43)53-34/h7,22-35,43-50H,8-20H2,1-6H3,(H,51,52)/t22-,23+,24+,25+,26+,27-,28-,29+,30-,31-,32+,33+,34-,35-,38-,39-,40+,41+,42-/m0/s1
InChIKey WCMJLEULXWUCRF-DYSZAQIFSA-N
Mol Weight 797.0 g/mol
Molecular Formula C42H68O14
Exact Mass 796.460907 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 2ikWnjxjB36
Name PATENSIN;HEDERAGENIN_3-O-BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSIDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H68O14
InChI InChI=1S/C42H68O14/c1-37(2)13-15-42(36(51)52)16-14-40(5)21(22(42)17-37)7-8-26-38(3)11-10-27(39(4,20-45)25(38)9-12-41(26,40)6)55-35-33(31(49)29(47)24(19-44)54-35)56-34-32(50)30(48)28(46)23(18-43)53-34/h7,22-35,43-50H,8-20H2,1-6H3,(H,51,52)/t22-,23+,24+,25+,26+,27-,28-,29+,30-,31-,32+,33+,34-,35-,38-,39-,40+,41+,42-/m0/s1
InChIKey WCMJLEULXWUCRF-DYSZAQIFSA-N
Literature Reference Author W.C.YE,B.X.OU,N.N.JI,S.X.ZHAO,T.YE,M.A.MCKERVEY,P.STEVENSON
Literature Reference Citation PHYTOCHEM.,39,937(1995)
Literature Reference DOI 10.1016/0031-9422(95)00021-X
Molecular Weight 796.994 g/mol
Solvent C5D5N
Source File Reference UWMZ8928