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NEOCANDENATONE
SpectraBase Compound ID 66bYKgp5GyM
InChI InChI=1S/C32H26O7/c1-36-21-8-9-22(26(33)12-21)20-10-19-11-24-23(18-6-4-3-5-7-18)14-31(39-32(24)16-29(19)38-17-20)25-13-27(34)28(35)15-30(25)37-2/h3-9,11-16,20,33-34H,10,17H2,1-2H3/b31-25-
InChIKey KVROCRIOSIBEDH-GDWJVWIDSA-N
Mol Weight 522.6 g/mol
Molecular Formula C32H26O7
Exact Mass 522.167853 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FPV1R9iCjHM
Name NEOCANDENATONE
Compound Number 1
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H26O7
InChI InChI=1S/C32H26O7/c1-36-21-8-9-22(26(33)12-21)20-10-19-11-24-23(18-6-4-3-5-7-18)14-31(39-32(24)16-29(19)38-17-20)25-13-27(34)28(35)15-30(25)37-2/h3-9,11-16,20,33-34H,10,17H2,1-2H3/b31-25-
InChIKey KVROCRIOSIBEDH-GDWJVWIDSA-N
Literature Reference Author B.E.BARRAGAN-HUERTA,J.PERALTA-CRUZ,R.F.GONZALEZ-LAREDO,J.KAR CHESY
Literature Reference Citation PHYTOCHEM.,65,925(2004)
Literature Reference DOI 10.1016/j.phytochem.2003.11.011
Molecular Weight 522.554 g/mol
Solvent CD3OD
Source File Reference UWVN31246