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INDICANINE-D;5,7-DIHYDROXY-6-(GAMMA,GAMMA-DIMETHYLALLYL)-8-(2'''-HYDROXY-3'''-METHYLBUT-3'''-ENYL)-4'-(1''''-HYDROXYMETHYLPENTACOSANYL)-ISOFLAVONE

View entire compound with spectra: 1 NMR

INDICANINE-D;5,7-DIHYDROXY-6-(GAMMA,GAMMA-DIMETHYLALLYL)-8-(2'''-HYDROXY-3'''-METHYLBUT-3'''-ENYL)-4'-(1''''-HYDROXYMETHYLPENTACOSANYL)-ISOFLAVONE
SpectraBase Compound ID If1BTyBCYvA
InChI InChI=1S/C51H78O7/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-42(36-52)58-41-32-30-40(31-33-41)45-37-57-51-44(35-46(53)39(4)5)48(54)43(34-29-38(2)3)49(55)47(51)50(45)56/h29-33,37,42,46,52-55H,4,6-28,34-36H2,1-3,5H3
InChIKey KXBPSKSPRYVSAE-UHFFFAOYSA-N
Mol Weight 803.2 g/mol
Molecular Formula C51H78O7
Exact Mass 802.574755 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ARqFQbR7XGH
Name INDICANINE-D;5,7-DIHYDROXY-6-(GAMMA,GAMMA-DIMETHYLALLYL)-8-(2'''-HYDROXY-3'''-METHYLBUT-3'''-ENYL)-4'-(1''''-HYDROXYMETHYLPENTACOSANYL)-ISOFLAVONE
CAS Registry Number 402939-12-2
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H78O7
InChI InChI=1S/C51H78O7/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-42(36-52)58-41-32-30-40(31-33-41)45-37-57-51-44(35-46(53)39(4)5)48(54)43(34-29-38(2)3)49(55)47(51)50(45)56/h29-33,37,42,46,52-55H,4,6-28,34-36H2,1-3,5H3
InChIKey KXBPSKSPRYVSAE-UHFFFAOYSA-N
Literature Reference Author A.E.NKENGFACK,A.G.B.AZEBAZE,A.K.WAFFO,Z.T.FOMUM,M.MEYER,F.R. V.HEERDEN
Literature Reference Citation PHYTOCHEM.,58,1113(2001)
Literature Reference DOI 10.1016/S0031-9422(01)00368-5
Molecular Weight 803.176 g/mol
Solvent CDCl3