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SQUARROSANIN-B

View entire compound with spectra: 1 NMR

SQUARROSANIN-B
SpectraBase Compound ID G39pc3jIFcg
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)33(57)31(55)29(53)22-21-20-19-10(40(61)66-36(20)32(56)30(22)54)5-15(46)26(50)35(19)67-41(21)62/h1-5,16,29,31,33-34,42-57H,6H2/t16-,29-,31+,33+,34-/m0/s1
InChIKey WTGNFAMNZASZTP-HJDQBHIESA-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 6YRXcVOdBN5
Name SQUARROSANIN-B
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)33(57)31(55)29(53)22-21-20-19-10(40(61)66-36(20)32(56)30(22)54)5-15(46)26(50)35(19)67-41(21)62/h1-5,16,29,31,33-34,42-57H,6H2/t16-,29-,31+,33+,34-/m0/s1
InChIKey WTGNFAMNZASZTP-HJDQBHIESA-N
Literature Reference Author M.YOSHIMURA,H.ITO,K.MIYASHITA,T.HATANO,S.TANIGUCHI,Y.AMAKURA ,T.YOSHIDA
Literature Reference Citation PHYTOCHEM.,69,3062(2008)
Literature Reference DOI 10.1016/j.phytochem.2008.04.004
Molecular Weight 936.658 g/mol
Sample ID 63849
Solvent ACETONE-D6:D2O