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

*Links on SpectraBase are not permalinks.
5-BETA-HYDROXYRESINIFERONOL-6-ALPHA,7-ALPHA-EPOXY-9,13,14-ORTHO-2E-HEXADECENOATE
SpectraBase Compound ID AakMdl7kaXU
InChI InChI=1S/C36H54O8/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-34-42-29-27-30-33(22-37,41-30)31(39)35(40)26(20-24(4)28(35)38)36(27,44-34)25(5)21-32(29,43-34)23(2)3/h18-20,25-27,29-31,37,39-40H,2,6-17,21-22H2,1,3-5H3/b19-18+/t25-,26-,27?,29-,30+,31-,32-,33+,34-,35-,36+/m1/s1
InChIKey LRWLAXJSFDAHQE-LQCDOMKDSA-N
Mol Weight 614.8 g/mol
Molecular Formula C36H54O8
Exact Mass 614.381869 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 4ZTe30vPXS0
Name 5-BETA-HYDROXYRESINIFERONOL-6-ALPHA,7-ALPHA-EPOXY-9,13,14-ORTHO-2E-HEXADECENOATE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H54O8
InChI InChI=1S/C36H54O8/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-34-42-29-27-30-33(22-37,41-30)31(39)35(40)26(20-24(4)28(35)38)36(27,44-34)25(5)21-32(29,43-34)23(2)3/h18-20,25-27,29-31,37,39-40H,2,6-17,21-22H2,1,3-5H3/b19-18+/t25-,26-,27?,29-,30+,31-,32-,33+,34-,35-,36+/m1/s1
InChIKey LRWLAXJSFDAHQE-LQCDOMKDSA-N
Literature Reference Author W.HE,M.CIK,L.V.PUYVELDE,J.V.DUN,G.APPENDINO,A.LESAGE,I.V.D.L INDIN,J.E.LEYSEN,W.W
Literature Reference Citation BIOORG.MED.CHEM.,10,3245(2002)
Literature Reference DOI 10.1016/S0968-0896(02)00163-3
Molecular Weight 614.820 g/mol
Solvent CDCl3
Source File Reference UWSI24317