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

*Links on SpectraBase are not permalinks.
8,19-DIACETOXY-5,6,6A,7,9,9A,10,11,16,17,17A,18,20,20A,21,22-HEXADECAHYDRO-5,22:7,20:9,18:11,16-TETRAMETHANONONACENE
SpectraBase Compound ID JRAx2WBNIs7
InChI InChI=1S/C46H42O4/c1-19(47)49-45-41-37-17-39(35-15-31-27-11-25(29(31)13-33(35)37)21-7-3-5-9-23(21)27)43(41)46(50-20(2)48)44-40-18-38(42(44)45)34-14-30-26-12-28(32(30)16-36(34)40)24-10-6-4-8-22(24)26/h3-10,25-28,33-40H,11-18H2,1-2H3/t25-,26+,27+,28-,33-,34?,35-,36?,37-,38+,39+,40-/m1/s1
InChIKey IRSQWSMAXRZKPL-VTKDAKOZSA-N
Mol Weight 658.8 g/mol
Molecular Formula C46H42O4
Exact Mass 658.30831 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 4bOA6EQ9vLl
Name 8,19-DIACETOXY-5,6,6A,7,9,9A,10,11,16,17,17A,18,20,20A,21,22-HEXADECAHYDRO-5,22:7,20:9,18:11,16-TETRAMETHANONONACENE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H42O4
InChI InChI=1S/C46H42O4/c1-19(47)49-45-41-37-17-39(35-15-31-27-11-25(29(31)13-33(35)37)21-7-3-5-9-23(21)27)43(41)46(50-20(2)48)44-40-18-38(42(44)45)34-14-30-26-12-28(32(30)16-36(34)40)24-10-6-4-8-22(24)26/h3-10,25-28,33-40H,11-18H2,1-2H3/t25-,26+,27+,28-,33-,34?,35-,36?,37-,38+,39+,40-/m1/s1
InChIKey IRSQWSMAXRZKPL-VTKDAKOZSA-N
Literature Reference Author F.G.KLAERNER,U.BURKERT,M.KAMIETH,R.BOESE,J.BENET-BUCHHOLZ
Literature Reference Citation CHEM.EUR.J.,5,1700(1999)
Literature Reference DOI 10.1002/(sici)1521-3765(19990604)5:6<1700::aid-chem1700>3.3.co;2-0
Molecular Weight 658.837 g/mol
Solvent CDCl3
Source File Reference UWRU9684