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SPICATOSIDE-C;25-(S)-RUSCOGENIN-1-O-BETA-D-FUCOPYRANOSYL-(1->2)-[BETA-D-XYLOPYRANOSYL-(1->4)]-BETA-D-FUCOPYRANOSIDE
SpectraBase Compound ID AbygIe1KVaI
InChI InChI=1S/C44H70O16/c1-18-9-12-44(54-16-18)19(2)30-28(60-44)15-26-24-8-7-22-13-23(45)14-29(43(22,6)25(24)10-11-42(26,30)5)57-41-38(59-40-35(51)33(49)31(47)20(3)55-40)36(52)37(21(4)56-41)58-39-34(50)32(48)27(46)17-53-39/h7,18-21,23-41,45-52H,8-17H2,1-6H3/t18-,19+,20+,21+,23?,24?,25?,26?,27+,28?,29?,30?,31-,32-,33-,34+,35+,36-,37-,38?,39-,40-,41-,42-,43?,44-/m1/s1
InChIKey LCJXMCPWWOCKTK-KGJUAOQCSA-N
Mol Weight 855.0 g/mol
Molecular Formula C44H70O16
Exact Mass 854.466386 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JPy0WCzqwn8
Name SPICATOSIDE-C;25-(S)-RUSCOGENIN-1-O-BETA-D-FUCOPYRANOSYL-(1->2)-[BETA-D-XYLOPYRANOSYL-(1->4)]-BETA-D-FUCOPYRANOSIDE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H70O16
InChI InChI=1S/C44H70O16/c1-18-9-12-44(54-16-18)19(2)30-28(60-44)15-26-24-8-7-22-13-23(45)14-29(43(22,6)25(24)10-11-42(26,30)5)57-41-38(59-40-35(51)33(49)31(47)20(3)55-40)36(52)37(21(4)56-41)58-39-34(50)32(48)27(46)17-53-39/h7,18-21,23-41,45-52H,8-17H2,1-6H3/t18-,19+,20+,21+,23?,24?,25?,26?,27+,28?,29?,30?,31-,32-,33-,34+,35+,36-,37-,38?,39-,40-,41-,42-,43?,44-/m1/s1
InChIKey LCJXMCPWWOCKTK-KGJUAOQCSA-N
Literature Reference Author J.C.DO,K.Y.JUNG,Y.K.SUNG,J.H.JUNG,K.H.SON
Literature Reference Citation J.NAT.PROD.,58,778(1995)
Literature Reference DOI 10.1021/np50119a022
Molecular Weight 855.030 g/mol
Solvent PYRIDINE-D5
Source File Reference UWVP4257