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ISOMANGIFEROLIC-ACID
SpectraBase Compound ID AJrvbz7bVx1
InChI InChI=1S/C30H48O3/c1-19(8-7-9-20(2)25(32)33)21-12-14-28(6)23-11-10-22-26(3,4)24(31)13-15-29(22)18-30(23,29)17-16-27(21,28)5/h9,19,21-24,31H,7-8,10-18H2,1-6H3,(H,32,33)/b20-9+/t19-,21-,22+,23+,24-,27-,28+,29-,30+/m1/s1
InChIKey CYHOTEDWAOHQLA-AKGXXHIGSA-N
Mol Weight 456.7 g/mol
Molecular Formula C30H48O3
Exact Mass 456.360345 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lwk6HtiLw6E
Name ISOMANGIFEROLIC-ACID
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H48O3
InChI InChI=1S/C30H48O3/c1-19(8-7-9-20(2)25(32)33)21-12-14-28(6)23-11-10-22-26(3,4)24(31)13-15-29(22)18-30(23,29)17-16-27(21,28)5/h9,19,21-24,31H,7-8,10-18H2,1-6H3,(H,32,33)/b20-9+/t19-,21-,22+,23+,24-,27-,28+,29-,30+/m1/s1
InChIKey CYHOTEDWAOHQLA-AKGXXHIGSA-N
Literature Reference Author C.ESCOBEDO-MARTINEZ,M.C.LOZADA,S.HERNANDEZ-ORTEGA,M.L.VILLAR REAL,D.GRECCO
Literature Reference Citation MAGN.RES.CHEM.,50,52(2012)
Literature Reference DOI 10.1002/mrc.2836
Molecular Weight 456.709 g/mol
Solvent CDCl3
Source File Reference UWBT15907