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Acetyl-nimosone
SpectraBase Compound ID 5vAMUltaWNC
InChI InChI=1S/C22H28O4/c1-12(2)14-9-15-16(10-18(14)26-13(3)23)22(6)8-7-20(25)21(4,5)19(22)11-17(15)24/h9-10,12,19H,7-8,11H2,1-6H3
InChIKey RNNVIWPTJDUKPU-UHFFFAOYSA-N
Mol Weight 356.46 g/mol
Molecular Formula C22H28O4
Exact Mass 356.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E0VjmtQW7yH
Name Acetyl-nimosone
Alternate Name(s) 12-Hydroxy-3-acetyl-8,11,13-abietriene-3,7-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O4
InChI InChI=1S/C22H28O4/c1-12(2)14-9-15-16(10-18(14)26-13(3)23)22(6)8-7-20(25)21(4,5)19(22)11-17(15)24/h9-10,12,19H,7-8,11H2,1-6H3
InChIKey RNNVIWPTJDUKPU-UHFFFAOYSA-N
Molecular Weight 356.462 g/mol
SMILES C12(c3c(cc(c(c3)OC(=O)C)C(C)C)C(CC1C(C)(C)C(CC2)=O)=O)C
SPLASH splash10-03di-0059000000-4d2d2d2f8ea202acdc96
Source of Spectrum X2-51-1060-3
Wiley ID 1602881