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QQTVTKCSXFIKMP-LJZOEGLNSA-N

View entire compound with spectra: 1 NMR

QQTVTKCSXFIKMP-LJZOEGLNSA-N
SpectraBase Compound ID KSmBkpmXSM
InChI InChI=1S/C40H42O20/c1-19(41)51-17-40(60-25(7)47)18-52-39(37(40)57-24(6)46)50-16-32-34(54-21(3)43)35(55-22(4)44)36(56-23(5)45)38(59-32)58-28-12-13-29-31(14-28)49-15-30(33(29)48)26-8-10-27(11-9-26)53-20(2)42/h8-15,32,34-39H,16-18H2,1-7H3/t32-,34-,35+,36-,37+,38-,39-,40-/m0/s1
InChIKey QQTVTKCSXFIKMP-LJZOEGLNSA-N
Mol Weight 842.8 g/mol
Molecular Formula C40H42O20
Exact Mass 842.226944 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LCB6sgClyUh
Name QQTVTKCSXFIKMP-LJZOEGLNSA-N
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H42O20
InChI InChI=1S/C40H42O20/c1-19(41)51-17-40(60-25(7)47)18-52-39(37(40)57-24(6)46)50-16-32-34(54-21(3)43)35(55-22(4)44)36(56-23(5)45)38(59-32)58-28-12-13-29-31(14-28)49-15-30(33(29)48)26-8-10-27(11-9-26)53-20(2)42/h8-15,32,34-39H,16-18H2,1-7H3/t32-,34-,35+,36-,37+,38-,39-,40-/m0/s1
InChIKey QQTVTKCSXFIKMP-LJZOEGLNSA-N
Literature Reference Author L.MATHIAS,I.J.C.VIEIRA,R.BRAZ-FILHO,E.RODRIGUES-FILHO
Literature Reference Citation J.NAT.PROD.,61,1158(1998)
Literature Reference DOI 10.1021/np9800598
Molecular Weight 842.761 g/mol
Solvent CDCl3
Source File Reference UWCP2131