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7-Acetylbrefeldin A

View entire compound with spectra: 1 MS (GC)

7-Acetylbrefeldin A
SpectraBase Compound ID DCXLet2PZqi
InChI InChI=1S/C18H26O5/c1-12-6-4-3-5-7-14-10-15(23-13(2)19)11-16(14)17(20)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 CADUJKRDAXBXOW-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 3TsMQ88qHPJ
Name 7-Acetylbrefeldin A
Alternate Name(s) (1R,6S,11aS,13S,14aR)-1-hydroxy-6-methyl-4-oxo-1,6,7,8,9,11a,12,13,14,14a-decahydro-4H-cyclopenta[f]oxacyclotridecin-13-yl acetate Acetic acid[(1S,2E,7S,10E,12R,13R,15S)-12-hydroxy-7-methyl-9-oxo-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-15-yl]ester Acetic acid[(1S,2E,7S,10E,12R,13R,15S)-12-hydroxy-9-keto-7-methyl-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-15-yl]ester [(1S,2E,7S,10E,12R,13R,15S)-12-hydroxy-7-methyl-9-oxo-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-15-yl]acetate [(1S,2E,7S,10E,12R,13R,15S)-7-methyl-12-oxidanyl-9-oxidanylidene-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-15-yl]ethanoate Acetic acid [(1S,2E,7S,10E,12R,13R,15S)-12-hydroxy-7-methyl-9-oxo-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-15-yl] ester [(1S,2E,7S,10E,12R,13R,15S)-12-hydroxy-7-methyl-9-oxo-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-15-yl] acetate [(1S,2E,7S,10E,12R,13R,15S)-7-methyl-12-oxidanyl-9-oxidanylidene-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-15-yl] ethanoate
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Formula C18H26O5
InChI InChI=1S/C18H26O5/c1-12-6-4-3-5-7-14-10-15(23-13(2)19)11-16(14)17(20)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 CADUJKRDAXBXOW-PQMJTKGWSA-N
Molecular Weight 322.401 g/mol
SMILES O[C@@]1(\C=C\C(O[C@@](C)(CCC\C=C\[C@]2([C@]1(C[C@@](OC(=O)C)(C2)[H])[H])[H])[H])=O)[H]
SPLASH splash10-0006-9000000000-f35913acda78212bc250
Source of Spectrum C-101-711-0
Wiley ID 1321701