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

*Links on SpectraBase are not permalinks.
SINOMARINOSIDE_B;PENUPOGENIN_3-O-BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE
SpectraBase Compound ID 6m4GmQekoQ6
InChI InChI=1S/C51H76O17/c1-27-41(54)45(61-9)42(55)46(64-27)68-44-29(3)63-40(25-35(44)60-8)67-43-28(2)62-39(24-34(43)59-7)65-33-18-19-47(5)32(23-33)17-20-50(57)36(47)26-37(66-38(53)16-15-31-13-11-10-12-14-31)48(6)49(56,30(4)52)21-22-51(48,50)58/h10-17,27-30,33-37,39-46,52,54-58H,18-26H2,1-9H3/b16-15+/t27-,28-,29+,30?,33+,34+,35-,36?,37-,39+,40-,41-,42-,43-,44+,45+,46+,47+,48-,49-,50+,51+/m1/s1
InChIKey XLVYFAXXHUCCDJ-MSHIISOFSA-N
Mol Weight 961.2 g/mol
Molecular Formula C51H76O17
Exact Mass 960.508251 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 E6XSmh3tMYe
Name SINOMARINOSIDE_B;PENUPOGENIN_3-O-BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H76O17
InChI InChI=1S/C51H76O17/c1-27-41(54)45(61-9)42(55)46(64-27)68-44-29(3)63-40(25-35(44)60-8)67-43-28(2)62-39(24-34(43)59-7)65-33-18-19-47(5)32(23-33)17-20-50(57)36(47)26-37(66-38(53)16-15-31-13-11-10-12-14-31)48(6)49(56,30(4)52)21-22-51(48,50)58/h10-17,27-30,33-37,39-46,52,54-58H,18-26H2,1-9H3/b16-15+/t27-,28-,29+,30?,33+,34+,35-,36?,37-,39+,40-,41-,42-,43-,44+,45+,46+,47+,48-,49-,50+,51+/m1/s1
InChIKey XLVYFAXXHUCCDJ-MSHIISOFSA-N
Literature Reference Author J.J.CHEN,Z.X.ZHANG,J.ZHOU,B.T.LI
Literature Reference Citation J.NAT.PROD.,62,829(1999)
Literature Reference DOI 10.1021/np9804684
Molecular Weight 961.154 g/mol
Solvent CDCl3
Source File Reference UWMZ2629