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3-O-[ALPHA-L-ARABINOPYRANOSYL-(1->2)-BETA-D-QUINOVOPYRANOSYL]-QUINOVIC-ACID
SpectraBase Compound ID EmVT1OKcsab
InChI InChI=1S/C41H64O13/c1-19-10-15-40(35(47)48)16-17-41(36(49)50)22(27(40)20(19)2)8-9-25-38(6)13-12-26(37(4,5)24(38)11-14-39(25,41)7)53-34-32(30(45)28(43)21(3)52-34)54-33-31(46)29(44)23(42)18-51-33/h8,19-21,23-34,42-46H,9-18H2,1-7H3,(H,47,48)(H,49,50)/t19-,20+,21-,23+,24+,25-,26+,27+,28-,29+,30+,31-,32-,33+,34+,38+,39-,40-,41-/m1/s1
InChIKey CRTSEEJTRISWNE-HEVSFOFVSA-N
Mol Weight 764.9 g/mol
Molecular Formula C41H64O13
Exact Mass 764.434692 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cm3bnX0jxwT
Name 3-O-[ALPHA-L-ARABINOPYRANOSYL-(1->2)-BETA-D-QUINOVOPYRANOSYL]-QUINOVIC-ACID
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H64O13
InChI InChI=1S/C41H64O13/c1-19-10-15-40(35(47)48)16-17-41(36(49)50)22(27(40)20(19)2)8-9-25-38(6)13-12-26(37(4,5)24(38)11-14-39(25,41)7)53-34-32(30(45)28(43)21(3)52-34)54-33-31(46)29(44)23(42)18-51-33/h8,19-21,23-34,42-46H,9-18H2,1-7H3,(H,47,48)(H,49,50)/t19-,20+,21-,23+,24+,25-,26+,27+,28-,29+,30+,31-,32-,33+,34+,38+,39-,40-,41-/m1/s1
InChIKey CRTSEEJTRISWNE-HEVSFOFVSA-N
Literature Reference Author K.POELLMANN,S.GAGEL,M.H.A.ELGAMAL,K.H.SHAKER,K.SEIFERT
Literature Reference Citation PHYTOCHEM.,44,485(1997)
Literature Reference DOI 10.1016/S0031-9422(96)00552-3
Molecular Weight 764.951 g/mol
Solvent C5D5N
Source File Reference UWPA140