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ISOPETROFORMYNE-7
SpectraBase Compound ID 9eqdNEUuoG9
InChI InChI=1S/C46H66O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-31-34-37-40-43-46(48)44-41-38-35-32-29-26-23-22-24-27-30-33-36-39-42-45(47)4-2/h1-2,5-6,21,23,25-26,34,37,39,42,46,48H,7-20,22,24,27-33,35-36,38H2/b6-5-,25-21-,26-23-,37-34-,42-39+
InChIKey UOAVKPKSTGQQOO-ANFWUQODSA-N
Mol Weight 651.0 g/mol
Molecular Formula C46H66O2
Exact Mass 650.506281 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BrE1i4yfor2
Name ISOPETROFORMYNE-7
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H66O2
InChI InChI=1S/C46H66O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-31-34-37-40-43-46(48)44-41-38-35-32-29-26-23-22-24-27-30-33-36-39-42-45(47)4-2/h1-2,5-6,21,23,25-26,34,37,39,42,46,48H,7-20,22,24,27-33,35-36,38H2/b6-5-,25-21-,26-23-,37-34-,42-39+
InChIKey UOAVKPKSTGQQOO-ANFWUQODSA-N
Literature Reference Author Y.GUO,M.GAVAGNIN,E.TRIVELLONE,G.CIMINO
Literature Reference Citation J.NAT.PROD.,58,712(1995)
Literature Reference DOI 10.1021/np50119a009
Molecular Weight 651.029 g/mol
Solvent CDCl3
Source File Reference UWVP4350