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KOTOLACTONE_A

View entire compound with spectra: 1 NMR

KOTOLACTONE_A
SpectraBase Compound ID JEUFiABvqQh
InChI InChI=1S/C33H60O4/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33(3,37-32(29)34)36-30(35-31)28-26-24-22-20-17-15-13-11-9-7-5-2/h27,30-31H,4-26,28H2,1-3H3/b29-27-/t30-,31+,33-/m0/s1
InChIKey XOBIKJVESDPFSM-JQBPNCDPSA-N
Mol Weight 520.8 g/mol
Molecular Formula C33H60O4
Exact Mass 520.44916 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9vOW13avzuy
Name KOTOLACTONE_A
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H60O4
InChI InChI=1S/C33H60O4/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33(3,37-32(29)34)36-30(35-31)28-26-24-22-20-17-15-13-11-9-7-5-2/h27,30-31H,4-26,28H2,1-3H3/b29-27-/t30-,31+,33-/m0/s1
InChIKey XOBIKJVESDPFSM-JQBPNCDPSA-N
Literature Reference Author F.C.CHEN,C.F.PENG,I.L.TSAI,I.S.CHEN
Literature Reference Citation J.NAT.PROD.,68,1318(2005)
Literature Reference DOI 10.1021/np0580210
Molecular Weight 520.837 g/mol
Solvent CDCl3
Source File Reference UWMZ13359