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Methyl 8,9,13-trihydroxydocosanoate
SpectraBase Compound ID 98sr7UTtf5R
InChI InChI=1S/C23H46O5/c1-3-4-5-6-7-8-11-15-20(24)16-14-18-22(26)21(25)17-12-9-10-13-19-23(27)28-2/h20-22,24-26H,3-19H2,1-2H3
InChIKey JPHDQZLGYAAXQR-UHFFFAOYSA-N
Mol Weight 402.6 g/mol
Molecular Formula C23H46O5
Exact Mass 402.334525 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IE15a6z6uy5
Name Methyl 8,9,13-trihydroxydocosanoate
CAS Registry Number 56554-25-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H46O5
InChI InChI=1S/C23H46O5/c1-3-4-5-6-7-8-11-15-20(24)16-14-18-22(26)21(25)17-12-9-10-13-19-23(27)28-2/h20-22,24-26H,3-19H2,1-2H3
InChIKey JPHDQZLGYAAXQR-UHFFFAOYSA-N
Molecular Weight 402.616 g/mol
SMILES OC(CCCC(O)CCCCCCCCC)C(CCCCCCC(=O)OC)O
SPLASH splash10-052f-9510000000-9066a2d153d89eeee3d0
Source of Spectrum EP-4648-0-0
Synonyms 8,9,13-trihydroxydocosanoic acid methyl ester Methyl 8,9,13-tris(oxidanyl)docosanoate
Wiley ID 1370444