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object
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_id
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5Q5o0iRYt3U
spectrumID
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5Q5o0iRYt3U
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262144
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analyticalTechnique
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13C NMR
analyticalTechniqueLongName
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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ISOPETROFORMYNE-3
SpectraBase Compound ID 8ApQ9O6Mu0h
InChI InChI=1S/C46H70O2/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/h1-2,21,23,25-26,34,37,39,42,45-48H,5-20,22,24,27-33,35-36,38H2/b25-21-,26-23-,37-34+,42-39+
InChIKey DXFHRHATAZATAU-RPNXRKLESA-N
Mol Weight 655.1 g/mol
Molecular Formula C46H70O2
Exact Mass 654.537581 g/mol
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Q5o0iRYt3U
Name ISOPETROFORMYNE-3
Compound Number 5
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H70O2
InChI InChI=1S/C46H70O2/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/h1-2,21,23,25-26,34,37,39,42,45-48H,5-20,22,24,27-33,35-36,38H2/b25-21-,26-23-,37-34+,42-39+
InChIKey DXFHRHATAZATAU-RPNXRKLESA-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 655.061 g/mol
Solvent CDCl3
Source File Reference UWVP4343
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