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BELAMCANDAQUINONE-I

View entire compound with spectra: 1 NMR

BELAMCANDAQUINONE-I
SpectraBase Compound ID LxbEqAbcdm0
InChI InChI=1S/C47H74O5/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-39-36-40(48)37-42(49)43(39)44-41(47(52)46(51)38(3)45(44)50)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21,36-37,48-49,51H,4-17,22-35H2,1-3H3/b20-18-,21-19-
InChIKey GJLCKIUPGUBWSY-AUYXYSRISA-N
Mol Weight 719.1 g/mol
Molecular Formula C47H74O5
Exact Mass 718.553625 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5S72p5uyDLX
Name BELAMCANDAQUINONE-I
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H74O5
InChI InChI=1S/C47H74O5/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-39-36-40(48)37-42(49)43(39)44-41(47(52)46(51)38(3)45(44)50)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21,36-37,48-49,51H,4-17,22-35H2,1-3H3/b20-18-,21-19-
InChIKey GJLCKIUPGUBWSY-AUYXYSRISA-N
Literature Reference Author H.LIU,F.ZHAO,R.YANG,M.WANG,M.ZHENG,Y.ZHAO,X.ZHANG,F.QIU,H.WA NG
Literature Reference Citation PHYTOCHEM.,70,773(2009)
Literature Reference DOI 10.1016/j.phytochem.2009.04.004
Molecular Weight 719.102 g/mol
Sample ID 40757
Solvent CDCl3