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[(2R,3R,4R)-4-[(Z)-hexacos-17-enyl]-2-methyl-5-oxo-tetrahydrofuran-3-yl] acetate
SpectraBase Compound ID 10a0EOlNcR2
InChI InChI=1S/C33H60O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-31-32(37-30(3)34)29(2)36-33(31)35/h11-12,29,31-32H,4-10,13-28H2,1-3H3/b12-11-/t29-,31-,32+/m1/s1
InChIKey DNXOMVODDOWESR-QPICGEAISA-N
Mol Weight 520.8 g/mol
Molecular Formula C33H60O4
Exact Mass 520.44916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8OBtTl6861r
Name [(2R,3R,4R)-4-[(Z)-hexacos-17-enyl]-2-methyl-5-oxo-tetrahydrofuran-3-yl] acetate
Appearance White powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H60O4
InChI InChI=1S/C33H60O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-31-32(37-30(3)34)29(2)36-33(31)35/h11-12,29,31-32H,4-10,13-28H2,1-3H3/b12-11-/t29-,31-,32+/m1/s1
InChIKey DNXOMVODDOWESR-QPICGEAISA-N
Instrument Name Kratos MS 50
Ionization Type EI
Literature Reference DOI 10.1021/np020169l
Molecular Weight 520.839 g/mol
SMILES C1(O[C@@]([C@@]([C@]1(CCCCCCCCCCCCCCCC\C=C/CCCCCCCC)[H])(OC(C)=O)[H])(C)[H])=O
SPLASH splash10-0a4i-9200200000-3ba02824ba1ad3b41509
Source of Spectrum G4-65-1415-2a
Wiley ID 1883407