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PLAGIONICIN_A

View entire compound with spectra: 1 NMR, and 1 MS (GC)

PLAGIONICIN_A
SpectraBase Compound ID 4O06sV2PKMH
InChI InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-12-20-31(38)33-24-25-34(42-33)32(39)21-16-15-18-29(36)17-13-14-19-30(37)23-22-28-26-27(2)41-35(28)40/h26-27,29-34,36-39H,3-25H2,1-2H3/t27-,29?,30+,31+,32+,33+,34+/m0/s1
InChIKey CXGJYQUHSPDSCC-NPYHMLDVSA-N
Mol Weight 596.9 g/mol
Molecular Formula C35H64O7
Exact Mass 596.465204 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5lptiZb746h
Name PLAGIONICIN_A
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H64O7
InChI InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-12-20-31(38)33-24-25-34(42-33)32(39)21-16-15-18-29(36)17-13-14-19-30(37)23-22-28-26-27(2)41-35(28)40/h26-27,29-34,36-39H,3-25H2,1-2H3/t27-,29?,30+,31+,32+,33+,34+/m0/s1
InChIKey CXGJYQUHSPDSCC-NPYHMLDVSA-N
Literature Reference Author V.EPARVIER,V.H.HGUYEN,O.THOISON,M.T.MARTIN,T.SEVENET,F.GUERI TTE
Literature Reference Citation J.NAT.PROD.,69,1289(2006)
Literature Reference DOI 10.1021/np060168j
Molecular Weight 596.889 g/mol
Solvent CDCl3
Source File Reference UWMZ15460