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4-Acetyl-7-oxobrefeldin A
SpectraBase Compound ID BvDboYBaVNJ
InChI InChI=1S/C18H24O5/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/h5,7-9,12,14,16-17H,3-4,6,10-11H2,1-2H3/b7-5+,9-8+/t12-,14+,16+,17+/m0/s1
InChIKey JCOALSZNFJEEOT-AYKLKLBNSA-N
Mol Weight 320.39 g/mol
Molecular Formula C18H24O5
Exact Mass 320.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID uRCmFIga8h
Name 4-Acetyl-7-oxobrefeldin A
Alternate Name(s) (1R,6S,11aS,14aR)-6-methyl-4,13-dioxo-1,6,7,8,9,11a,12,13,14,14a-decahydro-4H-cyclopenta[f]oxacyclotridecin-1-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24O5
InChI InChI=1S/C18H24O5/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/h5,7-9,12,14,16-17H,3-4,6,10-11H2,1-2H3/b7-5+,9-8+/t12-,14+,16+,17+/m0/s1
InChIKey JCOALSZNFJEEOT-AYKLKLBNSA-N
Molecular Weight 320.385 g/mol
SMILES [C@]12([C@@](\C=C\C(O[C@@](C)(CCC\C=C\[C@@]2(CC(C1)=O)[H])[H])=O)(OC(=O)C)[H])[H]
SPLASH splash10-0006-9020000000-cdcc557c2fb95ad0db6f
Source of Spectrum C-101-711-13
Wiley ID 1320122