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Aristolactone
SpectraBase Compound ID 76xEONcFdQS
InChI InChI=1S/C15H20O2/c1-10(2)13-8-7-11(3)5-4-6-12-9-14(13)17-15(12)16/h5,9,13-14H,1,4,6-8H2,2-3H3/b11-5+/t13-,14-/m1/s1
InChIKey FGWWKPRDQNGBKN-NCWPGJITSA-N
Mol Weight 232.32 g/mol
Molecular Formula C15H20O2
Exact Mass 232.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4MZE1maapf5
Name Aristolactone
Classification Terpene lactones
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 232.146329882 u
Formula C15H20O2
InChI InChI=1S/C15H20O2/c1-10(2)13-8-7-11(3)5-4-6-12-9-14(13)17-15(12)16/h5,9,13-14H,1,4,6-8H2,2-3H3/b11-5+/t13-,14-/m1/s1
InChIKey FGWWKPRDQNGBKN-NCWPGJITSA-N
Molecular Weight 232.323 g/mol
Number of Peaks 13
SMILES C1CC2=C[C@]([C@](CC\C(=C\1)C)(C(C)=C)[H])(OC2=O)[H]
SPLASH splash10-052e-9400000000-634a3ca5db295614551c
Source of Spectrum FF-17-70-70_36 (DOI: 10.1002/ffj.1044)
Synonyms (8R,9R,E)-5-methyl-8-(prop-1-en-2-yl)-10-oxabicyclo[7.2.1]dodeca-1(12),4-dien-11-one (1R,2R,5E)-5-methyl-2-(1-methylethenyl)-11-oxabicyclo[7.2.1]dodeca-5,9(12)-dien-10-one (1R,2R,5E)-5-methyl-2-prop-1-en-2-yl-11-oxabicyclo[7.2.1]dodeca-5,9(12)-dien-10-one
Wiley ID 1775294