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ISOFISSITIN

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ISOFISSITIN
SpectraBase Compound ID 2cWwG4VrsMa
InChI InChI=1S/C28H34O6/c1-17(2)10-9-11-18-14-15-20(19-12-7-6-8-13-19)21(16-18)23(29)22-24(30)27(33-4)28(34-5)25(31)26(22)32-3/h6-8,10,12-14,20-21,30-31H,9,11,15-16H2,1-5H3/t20-,21+/m0/s1
InChIKey LXKXXDWXWNBTNE-LEWJYISDSA-N
Mol Weight 466.6 g/mol
Molecular Formula C28H34O6
Exact Mass 466.235539 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LnLMj8MLq1I
Name ISOFISSITIN
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H34O6
InChI InChI=1S/C28H34O6/c1-17(2)10-9-11-18-14-15-20(19-12-7-6-8-13-19)21(16-18)23(29)22-24(30)27(33-4)28(34-5)25(31)26(22)32-3/h6-8,10,12-14,20-21,30-31H,9,11,15-16H2,1-5H3/t20-,21+/m0/s1
InChIKey LXKXXDWXWNBTNE-LEWJYISDSA-N
Literature Reference Author Y.ALIAS,K.AWANG,A.H.A.HADI,O.THOISON,T.SEVENET,M.PAIS
Literature Reference Citation J.NAT.PROD.,58,1160(1995)
Literature Reference DOI 10.1021/np50122a002
Molecular Weight 466.574 g/mol
Solvent CDCl3
Source File Reference UWPR2036