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QUINOVIC-ACID-3-BETA-O-BETA-D-FUCOPYRANOSYL-(27->1)-BETA-D-GLUCOPYRANOSYLESTER
SpectraBase Compound ID mapSy0xlw2
InChI InChI=1S/C42H66O14/c1-19-10-15-41(36(50)51)16-17-42(37(52)56-35-33(49)31(47)29(45)23(18-43)54-35)22(27(41)20(19)2)8-9-25-39(6)13-12-26(38(4,5)24(39)11-14-40(25,42)7)55-34-32(48)30(46)28(44)21(3)53-34/h8,19-21,23-35,43-49H,9-18H2,1-7H3,(H,50,51)/t19-,20+,21-,23-,24+,25-,26+,27+,28+,29-,30+,31+,32-,33-,34+,35+,39+,40-,41+,42-/m1/s1
InChIKey QRVJUIRVDGCRAH-JSQXFSAFSA-N
Mol Weight 795.0 g/mol
Molecular Formula C42H66O14
Exact Mass 794.445257 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LaMta8pgI3S
Name QUINOVIC-ACID-3-BETA-O-BETA-D-FUCOPYRANOSYL-(27->1)-BETA-D-GLUCOPYRANOSYLESTER
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H66O14
InChI InChI=1S/C42H66O14/c1-19-10-15-41(36(50)51)16-17-42(37(52)56-35-33(49)31(47)29(45)23(18-43)54-35)22(27(41)20(19)2)8-9-25-39(6)13-12-26(38(4,5)24(39)11-14-40(25,42)7)55-34-32(48)30(46)28(44)21(3)53-34/h8,19-21,23-35,43-49H,9-18H2,1-7H3,(H,50,51)/t19-,20+,21-,23-,24+,25-,26+,27+,28+,29-,30+,31+,32-,33-,34+,35+,39+,40-,41+,42-/m1/s1
InChIKey QRVJUIRVDGCRAH-JSQXFSAFSA-N
Literature Reference Author A.M.P.YEPEZ,O.L.D.UGAZ,C.M.P.ALVAREZ,V.D.FEO,R.AQUINO,F.D.S
Literature Reference Citation PHYTOCHEM.,30,1635(1991)
Literature Reference DOI 10.1016/0031-9422(91)84223-F
Molecular Weight 794.978 g/mol
Solvent CD3OD
Source File Reference UWMS26112