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4-Acetylbrefeldin A

View entire compound with spectra: 1 MS (GC)

4-Acetylbrefeldin A
SpectraBase Compound ID EUePS9MVG4P
InChI InChI=1S/C18H26O5/c1-12-6-4-3-5-7-14-10-15(20)11-16(14)17(23-13(2)19)8-9-18(21)22-12/h5,7-9,12,14-17,20H,3-4,6,10-11H2,1-2H3/b7-5+,9-8+/t12-,14+,15-,16+,17+/m0/s1
InChIKey HVKKVRWIIIJCSS-PQMJTKGWSA-N
Mol Weight 322.4 g/mol
Molecular Formula C18H26O5
Exact Mass 322.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F20xhjUCkm6
Name 4-Acetylbrefeldin A
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26O5
InChI InChI=1S/C18H26O5/c1-12-6-4-3-5-7-14-10-15(20)11-16(14)17(23-13(2)19)8-9-18(21)22-12/h5,7-9,12,14-17,20H,3-4,6,10-11H2,1-2H3/b7-5+,9-8+/t12-,14+,15-,16+,17+/m0/s1
InChIKey HVKKVRWIIIJCSS-PQMJTKGWSA-N
Molecular Weight 322.401 g/mol
SMILES O[C@@]1(C[C@]2([C@@](\C=C\C(O[C@@](C)(CCC\C=C\[C@@]2(C1)[H])[H])=O)(OC(=O)C)[H])[H])[H]
SPLASH splash10-0006-9010000000-aa8934a3cfc47e0c535f
Source of Spectrum C-101-711-13
Synonyms (1R,6S,11aS,13S,14aR)-13-hydroxy-6-methyl-4-oxo-1,6,7,8,9,11a,12,13,14,14a-decahydro-4H-cyclopenta[f]oxacyclotridecin-1-yl acetate Acetic acid[(1S,2E,7S,10E,12R,13R,15S)-15-hydroxy-7-methyl-9-oxo-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-12-yl]ester Acetic acid[(1S,2E,7S,10E,12R,13R,15S)-15-hydroxy-9-keto-7-methyl-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-12-yl]ester [(1S,2E,7S,10E,12R,13R,15S)-15-hydroxy-7-methyl-9-oxo-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-12-yl]acetate [(1S,2E,7S,10E,12R,13R,15S)-7-methyl-15-oxidanyl-9-oxidanylidene-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-12-yl]ethanoate Acetic acid [(1S,2E,7S,10E,12R,13R,15S)-15-hydroxy-7-methyl-9-oxo-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-12-yl] ester [(1S,2E,7S,10E,12R,13R,15S)-15-hydroxy-7-methyl-9-oxo-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-12-yl] acetate [(1S,2E,7S,10E,12R,13R,15S)-7-methyl-15-oxidanyl-9-oxidanylidene-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-12-yl] ethanoate
Wiley ID 1321700