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QUINOVIC-ACID_3-BETA-O-BETA-6-DEOXY-D-GLUCOPYRANOSIDE
SpectraBase Compound ID BoNzrt3ambj
InChI InChI=1S/C36H56O9/c1-18-10-15-35(30(40)41)16-17-36(31(42)43)21(25(35)19(18)2)8-9-23-33(6)13-12-24(32(4,5)22(33)11-14-34(23,36)7)45-29-28(39)27(38)26(37)20(3)44-29/h8,18-20,22-29,37-39H,9-17H2,1-7H3,(H,40,41)(H,42,43)/t18-,19+,20-,22?,23?,24+,25?,26-,27+,28-,29+,33+,34-,35+,36-/m1/s1
InChIKey PUOQHFWXBKTHST-ZCXMRWBBSA-N
Mol Weight 632.8 g/mol
Molecular Formula C36H56O9
Exact Mass 632.392433 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EjUM0lNwp9j
Name QUINOVIC-ACID_3-BETA-O-BETA-6-DEOXY-D-GLUCOPYRANOSIDE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H56O9
InChI InChI=1S/C36H56O9/c1-18-10-15-35(30(40)41)16-17-36(31(42)43)21(25(35)19(18)2)8-9-23-33(6)13-12-24(32(4,5)22(33)11-14-34(23,36)7)45-29-28(39)27(38)26(37)20(3)44-29/h8,18-20,22-29,37-39H,9-17H2,1-7H3,(H,40,41)(H,42,43)/t18-,19+,20-,22?,23?,24+,25?,26-,27+,28-,29+,33+,34-,35+,36-/m1/s1
InChIKey PUOQHFWXBKTHST-ZCXMRWBBSA-N
Literature Reference Author F.J.ARRIAGA,A.RUMBERO,P.VAZQUEZ
Literature Reference Citation PHYTOCHEM.,29,209(1990)
Literature Reference DOI 10.1016/0031-9422(90)89038-B
Molecular Weight 632.835 g/mol
Solvent CD3OD
Source File Reference UWMZ25505