3-[(1S,2S,6S)-6-Isopropenyl-1,3-Dimethyl-2-(2-Oxo-2H-Chromen-7-Yloxymethyl)-Cyclohex-3-Enyl]-Propionic Acid
[CAS# 21800-49-7]

Identification

• Name: 3-[(1S,2S,6S)-6-Isopropenyl-1,3-Dimethyl-2-(2-Oxo-2H-Chromen-7-Yloxymethyl)-Cyclohex-3-Enyl]-Propionic Acid
• Synonyms: (5Z)-1,5-Dimethyl-9-Methylene-2-(2-Oxochromen-7-Yl)Oxy-Cycloundec-5-Ene-1-Carboxylic Acid; (5Z)-1,5-Dimethyl-9-Methylene-2-[(2-Oxo-7-Chromenyl)Oxy]-1-Cycloundec-5-Enecarboxylic Acid; (5Z)-2-(2-Ketochromen-7-Yl)Oxy-1,5-Dimethyl-9-Methylene-Cycloundec-5-Ene-1-Carboxylic Acid
• Molecular Formula: C₂₄H₂₈O₅
• Molecular Weight: 396.48
• CAS Registry Number: 21800-49-7
• SMILES: C2=C(OC1C(C(=O)O)(CCC(CC/C=C(CC1)/C)=C)C)C=CC3=C2OC(=O)C=C3
• InChI: 1S/C24H28O5/c1-16-5-4-6-17(2)13-14-24(3,23(26)27)21(11-7-16)28-19-10-8-18-9-12-22(25)29-20(18)15-19/h5,8-10,12,15,21H,2,4,6-7,11,13-14H2,1,3H3,(H,26,27)/b16-5-
• InChIKey: WNKJSJGQYFLQJT-BNCCVWRVSA-N