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PLAKORTOLIDE_J;(3-S,4-S,6-S,15-E,17-E,19-E)-4,6-DIMETHYL-4-HYDROXY-3,6-PEROXYDOCOSA-15,17,19-TRIENOIC_ACID_1,4-LACTONE
SpectraBase Compound ID 8Q6whKk36t9
InChI InChI=1S/C24H38O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(2)20-24(3)21(27-28-23)19-22(25)26-24/h5-10,21H,4,11-20H2,1-3H3/b6-5+,8-7+,10-9+/t21-,23-,24-/m0/s1
InChIKey AXDQPRBNYTZNDV-FONNPZOSSA-N
Mol Weight 390.6 g/mol
Molecular Formula C24H38O4
Exact Mass 390.27701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4q7mU7Mt82s
Name (3S,4S,6S,15E,17E,19E)-4,6-Dimethyl-4-hydroxy-3,6-peroxydocosa- 15,17,19-trienoic acid 1,4-lactone
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H38O4
InChI InChI=1S/C24H38O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(2)20-24(3)21(27-28-23)19-22(25)26-24/h5-10,21H,4,11-20H2,1-3H3/b6-5+,8-7+,10-9+/t21-,23-,24-/m0/s1
InChIKey AXDQPRBNYTZNDV-FONNPZOSSA-N
Ionization Type EI
Literature Reference DOI 10.1021/np100461t
Molecular Weight 390.564 g/mol
Optical Rotation [a]D20 = +29.1 (c = 1.1, CHCl3)
Reported Formula C24H38O4
SMILES CC\C=C\C=C\C=C\CCCCCCCC[C@]1(C[C@]2([C@@](OO1)(CC(O2)=O)[H])C)C
SPLASH splash10-001s-9700000000-58f4fc8f4aa77790c1c2
Source of Spectrum G4-73-1698-2
Synonyms Plakortolide J
Wiley ID 1848872