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DUNALIANOSIDE-G
SpectraBase Compound ID qrMWJxLPP7
InChI InChI=1S/C42H42O20/c43-20-3-7-22(8-4-20)58-41-36(53)34(51)32(49)28(60-41)16-56-30(48)12-1-18-13-24-31(38(62-39(24)27(47)14-18)19-2-11-25(45)26(46)15-19)40(55)57-17-29-33(50)35(52)37(54)42(61-29)59-23-9-5-21(44)6-10-23/h1-15,28-29,31-38,41-47,49-54H,16-17H2/b12-1+/t28-,29-,31-,32-,33-,34+,35+,36-,37-,38+,41-,42-/m1/s1
InChIKey YKDLPLBPZOTMRJ-QYUYDOCXSA-N
Mol Weight 866.8 g/mol
Molecular Formula C42H42O20
Exact Mass 866.226944 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID g6XJP7gmPA
Name DUNALIANOSIDE-G
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H42O20
InChI InChI=1S/C42H42O20/c43-20-3-7-22(8-4-20)58-41-36(53)34(51)32(49)28(60-41)16-56-30(48)12-1-18-13-24-31(38(62-39(24)27(47)14-18)19-2-11-25(45)26(46)15-19)40(55)57-17-29-33(50)35(52)37(54)42(61-29)59-23-9-5-21(44)6-10-23/h1-15,28-29,31-38,41-47,49-54H,16-17H2/b12-1+/t28-,29-,31-,32-,33-,34+,35+,36-,37-,38+,41-,42-/m1/s1
InChIKey YKDLPLBPZOTMRJ-QYUYDOCXSA-N
Literature Reference Author P.ZHAO,T.TANAKA,K.HIRABAYASHI,Y.J.ZHANG,C.R.YANG,I.KOUNO
Literature Reference Citation PHYTOCHEM.,69,3087(2008)
Literature Reference DOI 10.1016/j.phytochem.2008.06.001
Molecular Weight 866.783 g/mol
Sample ID 63874
Solvent CD3OD