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Methyl (3S,4S,6S,10S)-4,6,10-triethyl-3,6-dihydroxy-tetradecanoate
SpectraBase Compound ID 3kXlVS1cPxT
InChI InChI=1S/C21H42O4/c1-5-8-9-10-11-12-13-14-15-21(24,7-3)17-18(6-2)19(22)16-20(23)25-4/h18-19,22,24H,5-17H2,1-4H3/t18-,19-,21-/m0/s1
InChIKey QASBDRJQVVHACI-ZJOUEHCJSA-N
Mol Weight 358.6 g/mol
Molecular Formula C21H42O4
Exact Mass 358.30831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bx1OaktQB2p
Name Methyl (3S,4S,6S,10S)-4,6,10-triethyl-3,6-dihydroxy-tetradecanoate
Appearance Colorless oil
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Formula C21H42O4
InChI InChI=1S/C21H42O4/c1-5-8-9-10-11-12-13-14-15-21(24,7-3)17-18(6-2)19(22)16-20(23)25-4/h18-19,22,24H,5-17H2,1-4H3/t18-,19-,21-/m0/s1
InChIKey QASBDRJQVVHACI-ZJOUEHCJSA-N
Instrument Name Hewlett-Packard 5972A
Ionization Type EI
Literature Reference DOI 10.1021/np030021h
Molecular Weight 358.563 g/mol
Optical Rotation [a]D20 = -44.2 (c = 1.2, CHCl3)
SMILES O[C@]([C@](C[C@](O)(CC)CCCCCCCCCC)(CC)[H])(CC(OC)=O)[H]
SPLASH splash10-0aos-8900000000-9bb0993be736c61147a7
Source of Spectrum G4-66-660-5
Wiley ID 1881404