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6a,12a-Dehydro-.beta.toxicarol
SpectraBase Compound ID CRkrgpTV7Af
InChI InChI=1S/C23H20O7/c1-23(2)6-5-11-14(30-23)9-17-20(21(11)24)22(25)19-12-7-15(26-3)16(27-4)8-13(12)28-10-18(19)29-17/h5-9,24H,10H2,1-4H3
InChIKey OAHQAFDPMFGAMP-UHFFFAOYSA-N
Mol Weight 408.41 g/mol
Molecular Formula C23H20O7
Exact Mass 408.120903 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GFsQrdG8MTq
Name 6A,12A-DEHYDRO-BETA-TOXICAROL
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H20O7
InChI InChI=1S/C23H20O7/c1-23(2)6-5-11-14(30-23)9-17-20(21(11)24)22(25)19-12-7-15(26-3)16(27-4)8-13(12)28-10-18(19)29-17/h5-9,24H,10H2,1-4H3
InChIKey OAHQAFDPMFGAMP-UHFFFAOYSA-N
Literature Reference Author C.C.ANDREI,P.C.VIEIRA,J.B.FERNANDES,M.F.G.F.D.SILVA,E.R.FO
Literature Reference Citation PHYTOCHEM.,46,1081(1997)
Literature Reference DOI 10.1016/s0031-9422(97)00405-6
Molecular Weight 408.408 g/mol
Sample ID 65485
Solvent CDCl3