rel-7-[[(1R,2S,4aR,5S,6S,8aS)-Decahydro-6-hydroxy-1,2,4a,5-tetramethyl-1-naphthalenyl]methoxy]-2H-1-Benzopyran-2-one
[CAS# 58939-88-1]

Identification

• Name: rel-7-[[(1R,2S,4aR,5S,6S,8aS)-Decahydro-6-hydroxy-1,2,4a,5-tetramethyl-1-naphthalenyl]methoxy]-2H-1-Benzopyran-2-one
• Synonyms: 7-[[(1R,2S,4Ar,5S,6S,8As)-6-Hydroxy-1,2,4A,5-Tetramethyl-Decalin-1-Yl]Methoxy]Chromen-2-One; 7-[[(1R,2S,4Ar,5S,6S,8As)-6-Hydroxy-1,2,4A,5-Tetramethyl-1-Decalinyl]Methoxy]-2-Chromenone; 7-[[(1R,2S,4Ar,5S,6S,8As)-6-Hydroxy-1,2,4A,5-Tetramethyl-Decalin-1-Yl]Methoxy]Coumarin
• Molecular Formula: C₂₄H₃₂O₄
• Molecular Weight: 384.51
• CAS Registry Number: 58939-88-1
• SMILES: [C@@H]12[C@]([C@@H]([C@@H](O)CC1)C)(CC[C@@H]([C@]2(COC3=CC=C4C(=C3)OC(=O)C=C4)C)C)C
• InChI: 1S/C24H32O4/c1-15-11-12-23(3)16(2)19(25)8-9-21(23)24(15,4)14-27-18-7-5-17-6-10-22(26)28-20(17)13-18/h5-7,10,13,15-16,19,21,25H,8-9,11-12,14H2,1-4H3/t15-,16+,19-,21-,23-,24+/m0/s1
• InChIKey: VZHMLYJMPGDZPE-OFIDYMHDSA-N

Properties

• Density: 1.112g/cm³ (Cal.)
• Boiling point: 527.33°C at 760 mmHg (Cal.)
• Flash point: 176.666°C (Cal.)