For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
6-ALPHA-MALONOYLOXY-N-BUTYLESTER-MANOYL_OXIDE
SpectraBase Compound ID B897e6TwCxM
InChI InChI=1S/C27H44O5/c1-8-10-16-30-21(28)17-22(29)31-19-18-27(7)20(12-15-25(5,9-2)32-27)26(6)14-11-13-24(3,4)23(19)26/h9,19-20,23H,2,8,10-18H2,1,3-7H3/t19-,20+,23-,25-,26+,27+/m0/s1
InChIKey FLQJTWRILTVLCE-ZSTIODBZSA-N
Mol Weight 448.6 g/mol
Molecular Formula C27H44O5
Exact Mass 448.318875 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID JQeadRM0WUk
Name 6-ALPHA-MALONOYLOXY-N-BUTYLESTER-MANOYL_OXIDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H44O5
InChI InChI=1S/C27H44O5/c1-8-10-16-30-21(28)17-22(29)31-19-18-27(7)20(12-15-25(5,9-2)32-27)26(6)14-11-13-24(3,4)23(19)26/h9,19-20,23H,2,8,10-18H2,1,3-7H3/t19-,20+,23-,25-,26+,27+/m0/s1
InChIKey FLQJTWRILTVLCE-ZSTIODBZSA-N
Literature Reference Author L.L.D.DASILVA,M.S.NASCIMENTO,A.J.CAVALHEIRO,D.H.S.SILVA,I.CA STRO-GAMBOA,V.D.S.BO
Literature Reference Citation J.NAT.PROD.,71,1291(2008)
Literature Reference DOI 10.1021/np800106x
Molecular Weight 448.643 g/mol
Sample ID 28757
Solvent CDCl3