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Myelochroic acid
SpectraBase Compound ID JobLbn5KPj9
InChI InChI=1S/C23H38O6/c1-18-21(22(25)26)20(29-23(18)27)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-28-19(2)24/h20-21H,1,3-17H2,2H3,(H,25,26)/t20-,21+/m1/s1
InChIKey LQMFUZJZXHFRKV-RTWAWAEBSA-N
Mol Weight 410.6 g/mol
Molecular Formula C23H38O6
Exact Mass 410.266839 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 953L0cYCsAk
Name Myelochroic acid
Alternate Name(s) 2-[15'-(Acetoxy)pentadecyl]-4'-methylidene-5'-oxo-2',2',5',5'-tetrahydrofuran]-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H38O6
InChI InChI=1S/C23H38O6/c1-18-21(22(25)26)20(29-23(18)27)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-28-19(2)24/h20-21H,1,3-17H2,2H3,(H,25,26)/t20-,21+/m1/s1
InChIKey LQMFUZJZXHFRKV-RTWAWAEBSA-N
Molecular Weight 410.551 g/mol
SMILES OC([C@]1(C(C(=O)O[C@@]1(CCCCCCCCCCCCCCCOC(=O)C)[H])=C)[H])=O
SPLASH splash10-0bt9-9033700000-6a58b054765cdedb5c29
Source of Spectrum B-55-624-1
Wiley ID 1517055