(1S,2S,3S)-2,3-Dimethyl-6-(1-Methylethylidene)-2-[[(2-Oxo-2H-1-Benzopyran-7-Yl)Oxy]Methyl]-Cyclohexanepropanoicacid
[CAS# 3566-55-0]

Identification

• Name: (1S,2S,3S)-2,3-Dimethyl-6-(1-Methylethylidene)-2-[[(2-Oxo-2H-1-Benzopyran-7-Yl)Oxy]Methyl]-Cyclohexanepropanoicacid
• Synonyms: 3-[(1R,2S,3S)-6-Isopropylidene-2,3-Dimethyl-2-[(2-Oxochromen-7-Yl)Oxymethyl]Cyclohexyl]Propanoic Acid; 3-[(1R,2S,3S)-6-Isopropylidene-2,3-Dimethyl-2-[(2-Oxo-7-Chromenyl)Oxymethyl]Cyclohexyl]Propanoic Acid; 3-[(1R,2S,3S)-6-Isopropylidene-2-[(2-Ketochromen-7-Yl)Oxymethyl]-2,3-Dimethyl-Cyclohexyl]Propionic Acid
• Molecular Formula: C₂₄H₃₀O₅
• Molecular Weight: 398.50
• CAS Registry Number: 3566-55-0
• SMILES: [C@@]1([C@@H](C(CC[C@@H]1C)=C(C)C)CCC(=O)O)(COC2=CC=C3C(=C2)OC(=O)C=C3)C
• InChI: 1S/C24H30O5/c1-15(2)19-9-5-16(3)24(4,20(19)10-11-22(25)26)14-28-18-8-6-17-7-12-23(27)29-21(17)13-18/h6-8,12-13,16,20H,5,9-11,14H2,1-4H3,(H,25,26)/t16-,20+,24-/m0/s1
• InChIKey: CVWWNYPTZYQCSE-GANZUKCXSA-N

Properties

• Density: 1.13g/cm³ (Cal.)
• Boiling point: 573.218°C at 760 mmHg (Cal.)
• Flash point: 193.557°C (Cal.)