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STACHYURIN

View entire compound with spectra: 2 NMR

STACHYURIN
SpectraBase Compound ID I5VXsq8olM7
InChI InChI=1S/C41H28O26/c42-11-1-7(2-12(43)23(11)47)37(58)64-16-6-63-38(59)8-3-13(44)24(48)27(51)17(8)18-9(4-14(45)25(49)28(18)52)39(60)65-34(16)36-35-32(56)22-21(41(62)66-35)20(30(54)33(57)31(22)55)19-10(40(61)67-36)5-15(46)26(50)29(19)53/h1-5,16,32,34-36,42-57H,6H2/t16-,32-,34-,35-,36-/m0/s1
InChIKey MMQXBTULXAEKQE-HCORTIEJSA-N
Mol Weight 936.6 g/mol
Molecular Formula C41H28O26
Exact Mass 936.086881 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 27iduX8pPO2
Name STACHYURIN
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H28O26
InChI InChI=1S/C41H28O26/c42-11-1-7(2-12(43)23(11)47)37(58)64-16-6-63-38(59)8-3-13(44)24(48)27(51)17(8)18-9(4-14(45)25(49)28(18)52)39(60)65-34(16)36-35-32(56)22-21(41(62)66-35)20(30(54)33(57)31(22)55)19-10(40(61)67-36)5-15(46)26(50)29(19)53/h1-5,16,32,34-36,42-57H,6H2/t16-,32-,34-,35-,36-/m0/s1
InChIKey MMQXBTULXAEKQE-HCORTIEJSA-N
Literature Reference Author T.YOSHIDA,H.ITO,M.YOSHIMURA,K.MIYASHITA,T.HATANO
Literature Reference Citation PHYTOCHEM.,69,3070(2008)
Literature Reference DOI 10.1016/j.phytochem.2007.07.002
Molecular Weight 936.658 g/mol
Sample ID 63848
Solvent 9:1=H2O:D2O;CD3COOD;0.1M;PH=3.9