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(R,E)-1-((S)-6-methoxy-2,5,7,8-tetramethylchroman-2-yl)-4,8,12-trimethyltridec-3-en-2-one
SpectraBase Compound ID GMeYZf0UbjX
InChI InChI=1S/C30H48O3/c1-20(2)12-10-13-21(3)14-11-15-22(4)18-26(31)19-30(8)17-16-27-25(7)28(32-9)23(5)24(6)29(27)33-30/h18,20-21H,10-17,19H2,1-9H3/b22-18+/t21-,30+/m1/s1
InChIKey JJUDHPSYEIQNNE-KLTSOHABSA-N
Mol Weight 456.7 g/mol
Molecular Formula C30H48O3
Exact Mass 456.360345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4WpcLvZ2LA
Name (R,E)-1-((S)-6-methoxy-2,5,7,8-tetramethylchroman-2-yl)-4,8,12-trimethyltridec-3-en-2-one
Appearance Colourless oil
Carrier Gas Hydrogen (30 ml/min, 1.2 bar)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 456.360345403 u
Formula C30H48O3
GC Column Optima-1-MS (30 m x 0.25 mm)
GC Oven Program Oven temp 300oC
InChI InChI=1S/C30H48O3/c1-20(2)12-10-13-21(3)14-11-15-22(4)18-26(31)19-30(8)17-16-27-25(7)28(32-9)23(5)24(6)29(27)33-30/h18,20-21H,10-17,19H2,1-9H3/b22-18+/t21-,30+/m1/s1
InChIKey JJUDHPSYEIQNNE-KLTSOHABSA-N
Instrument Name Agilent HP6890-5937 N
Ionization Type EI
Literature Reference DOI 10.1002/chem.202004843
Molecular Weight 456.711 g/mol
Quality 152
SMILES COC1=C(C2=C(C(=C1C)C)O[C@@](CC2)(CC(\C=C\(CCC[C@@](CCCC(C)C)(C)[H])C)=O)C)C
SPLASH splash10-0a4i-3190400000-a77693ab94505ecc2d54
Source of Spectrum QE-27-SM65-E-34 (DOI: 10.1002/chem.202004843)
Thin-Layer Chromatography 0.33 (SiO2, cHex/EtOAc, 14:1)
Wiley ID 1902014