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Mesembryanthemoidigenic-acid, methylester
SpectraBase Compound ID IqgZ9qnQtQE
InChI InChI=1S/C31H50O4/c1-26(2)22-10-13-30(6)23(28(22,4)12-11-24(26)33)9-8-20-21-18-27(3,19-32)14-16-31(21,25(34)35-7)17-15-29(20,30)5/h8,21-24,32-33H,9-19H2,1-7H3/t21-,22-,23+,24-,27+,28-,29+,30+,31-/m0/s1
InChIKey APWKRIUMZUJNPQ-GFSNXNQXSA-N
Mol Weight 486.7 g/mol
Molecular Formula C31H50O4
Exact Mass 486.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BXtSNgwzhOW
Name MESEMBRYANTHEMOIDIGENIC-ACID,METHYLESTER
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H50O4
InChI InChI=1S/C31H50O4/c1-26(2)22-10-13-30(6)23(28(22,4)12-11-24(26)33)9-8-20-21-18-27(3,19-32)14-16-31(21,25(34)35-7)17-15-29(20,30)5/h8,21-24,32-33H,9-19H2,1-7H3/t21-,22-,23+,24-,27+,28-,29+,30+,31-/m0/s1
InChIKey APWKRIUMZUJNPQ-GFSNXNQXSA-N
Literature Reference Author A.IKUTA,H.ITOKAWA
Literature Reference Citation PHYTOCHEM.,25,1625(1986)
Literature Reference DOI 10.1016/S0031-9422(00)81222-4
Molecular Weight 486.736 g/mol
Solvent CDCl3
Source File Reference UWBK446