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(+)-Dodecanoyllomatin
SpectraBase Compound ID CtCjmOWJdhP
InChI InChI=1S/C26H36O5/c1-4-5-6-7-8-9-10-11-12-13-23(27)29-22-18-20-21(31-26(22,2)3)16-14-19-15-17-24(28)30-25(19)20/h14-17,22H,4-13,18H2,1-3H3/t22-/m1/s1
InChIKey IAUHMBNDLXLFPX-JOCHJYFZSA-N
Mol Weight 428.6 g/mol
Molecular Formula C26H36O5
Exact Mass 428.256274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8xHvWWT0gNv
Name (+)-Dodecanoyllomatin
Appearance Amorphous solid
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H36O5
GC Oven Program Oven temp 280oC
InChI InChI=1S/C26H36O5/c1-4-5-6-7-8-9-10-11-12-13-23(27)29-22-18-20-21(31-26(22,2)3)16-14-19-15-17-24(28)30-25(19)20/h14-17,22H,4-13,18H2,1-3H3/t22-/m1/s1
InChIKey IAUHMBNDLXLFPX-JOCHJYFZSA-N
Instrument Name HP-6890
Ionization Type EI
Literature Reference DOI 10.1021/np050209w
Molecular Weight 428.569 g/mol
Optical Rotation [a]D25 = +29.3 (c = 0.1, CHCl3)
Reported Formula C26H36O5
SMILES c1cc2c(c3c1OC([C@@](C3)(OC(=O)CCCCCCCCCCC)[H])(C)C)OC(C=C2)=O
SPLASH splash10-03di-0190000000-d9fa6f852cb04374e905
Source of Spectrum G4-68-1639-4
Wiley ID 1879483