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JASPOLYANTHOSIDE;[2S-(2-ALPHA,3E,4-BETA)]-3-([2S-(2-ALPHA,3E,4-BETA)]-[[3-ETHYLIDENE-2-(BETA-D-GLUCOPYRANOSYLOXY)-3,4-DIHYDRO-5-(METHOXYCARBONYL)-2
SpectraBase Compound ID I1MVvHerqha
InChI InChI=1S/C35H48O22/c1-5-14-16(18(30(46)49-3)12-52-32(14)56-34-28(44)26(42)24(40)20(10-36)54-34)9-23(39)51-7-6-15-17(8-22(38)48-2)19(31(47)50-4)13-53-33(15)57-35-29(45)27(43)25(41)21(11-37)55-35/h5-6,12-13,16-17,20-21,24-29,32-37,40-45H,7-11H2,1-4H3/b14-5-,15-6-/t16-,17+,20-,21+,24-,25+,26+,27-,28-,29+,32-,33+,34+,35-/m1/s1
InChIKey BDNKSKXLCZUUES-DMLORZISSA-N
Mol Weight 820.7 g/mol
Molecular Formula C35H48O22
Exact Mass 820.263723 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9FeMLx1qnrm
Name JASPOLYANTHOSIDE;[2S-(2-ALPHA,3E,4-BETA)]-3-([2S-(2-ALPHA,3E,4-BETA)]-[[3-ETHYLIDENE-2-(BETA-D-GLUCOPYRANOSYLOXY)-3,4-DIHYDRO-5-(METHOXYCARBONYL)-2
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H48O22
InChI InChI=1S/C35H48O22/c1-5-14-16(18(30(46)49-3)12-52-32(14)56-34-28(44)26(42)24(40)20(10-36)54-34)9-23(39)51-7-6-15-17(8-22(38)48-2)19(31(47)50-4)13-53-33(15)57-35-29(45)27(43)25(41)21(11-37)55-35/h5-6,12-13,16-17,20-21,24-29,32-37,40-45H,7-11H2,1-4H3/b14-5-,15-6-/t16-,17+,20-,21+,24-,25+,26+,27-,28-,29+,32-,33+,34+,35-/m1/s1
InChIKey BDNKSKXLCZUUES-DMLORZISSA-N
Literature Reference Author T.TANAHASHI,Y.TAKENAKA,N.NAGAKURA
Literature Reference Citation PHYTOCHEM.,41,1341(1996)
Literature Reference DOI 10.1016/0031-9422(95)00747-4
Molecular Weight 820.753 g/mol
Solvent CD3OD
Source File Reference UWLU4376