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(2S,3R,4S)-1-O-Pivaloyl-3,4-O-isopropylideneoctadecane-1,2,3,4-tetraol
SpectraBase Compound ID EDbomc6Y9Fb
InChI InChI=1S/C26H50O5/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-22-23(31-26(5,6)30-22)21(27)20-29-24(28)25(2,3)4/h21-23,27H,7-20H2,1-6H3/t21-,22-,23+/m0/s1
InChIKey AUOKVQYGGYQUEQ-RJGXRXQPSA-N
Mol Weight 442.7 g/mol
Molecular Formula C26H50O5
Exact Mass 442.365825 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D5Xtsp3pmxC
Name (2S,3R,4S)-1-O-Pivaloyl-3,4-O-isopropylideneoctadecane-1,2,3,4-tetraol
Alternate Name(s) (2S)-2-[(4R,5S)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-2-hydroxyethyl pivalate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H50O5
InChI InChI=1S/C26H50O5/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-22-23(31-26(5,6)30-22)21(27)20-29-24(28)25(2,3)4/h21-23,27H,7-20H2,1-6H3/t21-,22-,23+/m0/s1
InChIKey AUOKVQYGGYQUEQ-RJGXRXQPSA-N
Molecular Weight 442.681 g/mol
SMILES O[C@]([C@]1(OC(C)(C)O[C@]1(CCCCCCCCCCCCCC)[H])[H])(COC(C(C)(C)C)=O)[H]
SPLASH splash10-056s-5270900000-b159f3dc9c70e47aa5a6
Source of Spectrum C5-2003-133-26
Wiley ID 1615301