Description
4-Oxobedfordiaic acid is a compound isolated from the herbs of Xanthium sibiricum.
IUPAC Name: 2-[(1R,5S)-5-methyl-4-(3-oxobutyl)cyclohept-3-en-1-yl]prop-2-enoic acid
InChI: InChI=1S/C15H22O3/c1-10-4-6-14(12(3)15(17)18)9-8-13(10)7-5-11(2)16/h8,10,14H,3-7,9H2,1-2H3,(H,17,18)/t10-,14+/m0/s1
InChIKey: NIQIMYXBAQAIAT-IINYFYTJSA-N
SMILES: C[C@H]1CC[C@H](CC=C1CCC(=O)C)C(=C)C(=O)O
Synonyms: 4-Oxobedfordiaic acid; 68799-38-2; 2-[(1R,5S)-5-methyl-4-(3-oxobutyl)cyclohept-3-en-1-yl]prop-2-enoic acid; 2-((1R,5S)-5-Methyl-4-(3-oxobutyl)cyclohept-3-en-1-yl)acrylic acid; starbld0007367; HY-N2643; AKOS032962216; FS-8961; …
Botanical Source: