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28-METHYL-SERRATAGENATE-3-BETA-O-ALPHA-RHAMNOPYRANOSYL-(1->2)-BETA-GLUCOPYRANOSIDE
SpectraBase Compound ID JqczgOI2sPZ
InChI InChI=1S/C43H68O14/c1-21-28(45)30(47)32(49)34(54-21)57-33-31(48)29(46)24(20-44)55-35(33)56-27-12-13-40(5)25(38(27,2)3)11-14-42(7)26(40)10-9-22-23-19-39(4,36(50)51)15-17-43(23,37(52)53-8)18-16-41(22,42)6/h9,21,23-35,44-49H,10-20H2,1-8H3,(H,50,51)/t21-,23-,24+,25-,26+,27-,28-,29+,30+,31-,32+,33+,34-,35-,39+,40-,41+,42+,43-/m0/s1
InChIKey OARKDIFOKKKSTO-MQUFNJAASA-N
Mol Weight 809.0 g/mol
Molecular Formula C43H68O14
Exact Mass 808.460907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID INZ5i11l9J1
Name 28-METHYL-SERRATAGENATE-3-BETA-O-ALPHA-RHAMNOPYRANOSYL-(1->2)-BETA-GLUCOPYRANOSIDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H68O14
InChI InChI=1S/C43H68O14/c1-21-28(45)30(47)32(49)34(54-21)57-33-31(48)29(46)24(20-44)55-35(33)56-27-12-13-40(5)25(38(27,2)3)11-14-42(7)26(40)10-9-22-23-19-39(4,36(50)51)15-17-43(23,37(52)53-8)18-16-41(22,42)6/h9,21,23-35,44-49H,10-20H2,1-8H3,(H,50,51)/t21-,23-,24+,25-,26+,27-,28-,29+,30+,31-,32+,33+,34-,35-,39+,40-,41+,42+,43-/m0/s1
InChIKey OARKDIFOKKKSTO-MQUFNJAASA-N
Literature Reference Author Z.Z.IBRAHEIM,H.A.HASSANEAN,D.W.BISHAY
Literature Reference Citation PHYTOCHEM.,62,1201(2003)
Literature Reference DOI 10.1016/S0031-9422(02)00620-9
Molecular Weight 809.005 g/mol
Solvent C5D5N
Source File Reference UWLU29619