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(+)-Hexanoyllomatin
SpectraBase Compound ID FOVNUTNLB5R
InChI InChI=1S/C20H24O5/c1-4-5-6-7-17(21)23-16-12-14-15(25-20(16,2)3)10-8-13-9-11-18(22)24-19(13)14/h8-11,16H,4-7,12H2,1-3H3/t16-/m1/s1
InChIKey QXAWBWUFIGFIRO-MRXNPFEDSA-N
Mol Weight 344.41 g/mol
Molecular Formula C20H24O5
Exact Mass 344.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LnqiTAWNgy5
Name (+)-Hexanoyllomatin
Appearance Colorless oil
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24O5
GC Oven Program Oven temp 280oC
InChI InChI=1S/C20H24O5/c1-4-5-6-7-17(21)23-16-12-14-15(25-20(16,2)3)10-8-13-9-11-18(22)24-19(13)14/h8-11,16H,4-7,12H2,1-3H3/t16-/m1/s1
InChIKey QXAWBWUFIGFIRO-MRXNPFEDSA-N
Instrument Name HP-6890
Ionization Type EI
Literature Reference DOI 10.1021/np050209w
Molecular Weight 344.407 g/mol
Optical Rotation [a]D25 = +30.3 (c = 0.1, CHCl3)
Reported Formula C20H24O5
SMILES c1cc2c(c3c1OC([C@@](C3)(OC(=O)CCCCC)[H])(C)C)OC(C=C2)=O
SPLASH splash10-03di-0190000000-e85c3dd1c0081a012f66
Source of Spectrum G4-68-1639-1
Wiley ID 1879480