4-[[(1R,2R,4aS,5S,8aS)-2-Hydroxy-1,4a-Dimethyl-6-Methylidene-5-[(2E)-2-(2-Oxofuran-3-Ylidene)Ethyl]-3,4,5,7,8,8a-Hexahydro-2H-Naphthalen-1-Yl]Methoxy]-4-Oxobutanoic Acid
[CAS# 138898-72-3]

Identification

• Name: 4-[[(1R,2R,4aS,5S,8aS)-2-Hydroxy-1,4a-Dimethyl-6-Methylidene-5-[(2E)-2-(2-Oxofuran-3-Ylidene)Ethyl]-3,4,5,7,8,8a-Hexahydro-2H-Naphthalen-1-Yl]Methoxy]-4-Oxobutanoic Acid
• Synonyms: 4-[[(1R,2R,4As,5S,8As)-2-Hydroxy-1,4A-Dimethyl-6-Methylene-5-[(2E)-2-(2-Oxo-3-Furylidene)Ethyl]Decalin-1-Yl]Methoxy]-4-Oxo-Butanoic Acid; 4-[[(1R,2R,4As,5S,8As)-2-Hydroxy-1,4A-Dimethyl-6-Methylene-5-[(2E)-2-(2-Oxo-3-Furylidene)Ethyl]-1-Decalinyl]Methoxy]-4-Oxobutanoic Acid; 4-[[(1R,2R,4As,5S,8As)-2-Hydroxy-5-[(2E)-2-(2-Keto-3-Furylidene)Ethyl]-1,4A-Dimethyl-6-Methylene-Decalin-1-Yl]Methoxy]-4-Keto-Butyric Acid
• Molecular Formula: C₂₄H₃₂O₇
• Molecular Weight: 432.51
• CAS Registry Number: 138898-72-3
• SMILES: [C@]1(COC(CCC(=O)O)=O)([C@@H](CC[C@]2([C@H](C(CC[C@H]12)=C)C\C=C3\C(OC=C3)=O)C)O)C
• InChI: 1S/C24H32O7/c1-15-4-7-18-23(2,17(15)6-5-16-11-13-30-22(16)29)12-10-19(25)24(18,3)14-31-21(28)9-8-20(26)27/h5,11,13,17-19,25H,1,4,6-10,12,14H2,2-3H3,(H,26,27)/b16-5+/t17-,18-,19+,23-,24-/m0/s1
• InChIKey: IRPQVWMDMBITLK-VOFHXWKDSA-N

Properties

• Density: 1.244g/cm³ (Cal.)
• Boiling point: 622.081°C at 760 mmHg (Cal.)
• Flash point: 209.528°C (Cal.)