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ICACINIC-ACID-TETRAACETATE-METHYLESTER;METHYL-2-ALPHA,3-ALPHA,23,24-TETRAACETOXY-19-ALPHA-HYDROXY-OLEAN-12-EN-28-OATE
SpectraBase Compound ID 46aZgNquzFu
InChI InChI=1S/C39H58O11/c1-22(40)47-20-39(21-48-23(2)41)29-13-14-37(9)28(35(29,7)19-27(49-24(3)42)32(39)50-25(4)43)12-11-26-30-31(44)34(5,6)15-17-38(30,33(45)46-10)18-16-36(26,37)8/h11,27-32,44H,12-21H2,1-10H3/t27-,28-,29-,30-,31+,32-,35-,36-,37-,38+/m1/s1
InChIKey KXUFRQUHEQBISI-FSPJNOBISA-N
Mol Weight 702.9 g/mol
Molecular Formula C39H58O11
Exact Mass 702.397913 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID aiU12QUiRk
Name ICACINIC-ACID-TETRAACETATE-METHYLESTER;METHYL-2-ALPHA,3-ALPHA,23,24-TETRAACETOXY-19-ALPHA-HYDROXY-OLEAN-12-EN-28-OATE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H58O11
InChI InChI=1S/C39H58O11/c1-22(40)47-20-39(21-48-23(2)41)29-13-14-37(9)28(35(29,7)19-27(49-24(3)42)32(39)50-25(4)43)12-11-26-30-31(44)34(5,6)15-17-38(30,33(45)46-10)18-16-36(26,37)8/h11,27-32,44H,12-21H2,1-10H3/t27-,28-,29-,30-,31+,32-,35-,36-,37-,38+/m1/s1
InChIKey KXUFRQUHEQBISI-FSPJNOBISA-N
Literature Reference Author M.O.F.GOULART,A.E.G.SANATNA,R.J.ALVES,J.D.D.S.FILHO,J.G.S.MA IA,G.G.D.OLIVEIRA,A.
Literature Reference Citation PHYTOCHEM.,37,1139(1994)
Literature Reference DOI 10.1016/S0031-9422(00)89544-8
Molecular Weight 702.883 g/mol
Solvent Unknown
Source File Reference UWLU24050