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QTYIWSAHSZUUFM-IPFKEIRXSA-N

View entire compound with spectra: 2 NMR

QTYIWSAHSZUUFM-IPFKEIRXSA-N
SpectraBase Compound ID pnaLMfGn85
InChI InChI=1S/C39H40O19/c1-16(40)50-14-30-36(52-17(2)41)37(53-18(3)42)38(54-19(4)43)39(58-30)51-15-29-34(20-6-8-23(45)26(10-20)49-5)56-27-11-21(7-9-25(27)55-29)35-33(48)32(47)31-24(46)12-22(44)13-28(31)57-35/h6-13,29-30,33-39,44-46,48H,14-15H2,1-5H3/t29?,30-,33+,34?,35-,36+,37-,38-,39-/m1/s1
InChIKey QTYIWSAHSZUUFM-IPFKEIRXSA-N
Mol Weight 812.7 g/mol
Molecular Formula C39H40O19
Exact Mass 812.216379 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1eTcfmKNrZF
Name QTYIWSAHSZUUFM-IPFKEIRXSA-N
Compound Number 3A-A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H40O19
InChI InChI=1S/C39H40O19/c1-16(40)50-14-30-36(52-17(2)41)37(53-18(3)42)38(54-19(4)43)39(58-30)51-15-29-34(20-6-8-23(45)26(10-20)49-5)56-27-11-21(7-9-25(27)55-29)35-33(48)32(47)31-24(46)12-22(44)13-28(31)57-35/h6-13,29-30,33-39,44-46,48H,14-15H2,1-5H3/t29?,30-,33+,34?,35-,36+,37-,38-,39-/m1/s1
InChIKey QTYIWSAHSZUUFM-IPFKEIRXSA-N
Literature Reference Author V.KREN,J.KUBISCH,P.SEDMERA,P.HALADA,L.CVAK,R.GEBHARDT,J.ULRI CHOVA,V.SIMANEK
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2467(1997)
Literature Reference DOI 10.1039/a703283h
Molecular Weight 812.735 g/mol
Solvent CDCl3
Source File Reference UWKP2603