(2S,3S,3aS,6S,7S,7aS)-2-Hydroxy-2,3,7-Trimethyl-6-[1-(Phenylmethoxy)Propan-2-Yl]-3a,6,7,7a-Tetrahydro-3H-Furo[4,5-c]Pyran-4-One
[CAS# 125225-47-0]

Identification

• Name: (2S,3S,3aS,6S,7S,7aS)-2-Hydroxy-2,3,7-Trimethyl-6-[1-(Phenylmethoxy)Propan-2-Yl]-3a,6,7,7a-Tetrahydro-3H-Furo[4,5-c]Pyran-4-One
• Synonyms: (2S,3S,3As,6S,7S,7As)-2-Hydroxy-2,3,7-Trimethyl-6-[1-Methyl-2-(Phenylmethoxy)Ethyl]-3A,6,7,7A-Tetrahydro-3H-Furo[4,5-C]Pyran-4-One; (2S,3S,3As,6S,7S,7As)-6-[2-(Benzyloxy)-1-Methyl-Ethyl]-2-Hydroxy-2,3,7-Trimethyl-3A,6,7,7A-Tetrahydro-3H-Furo[4,5-C]Pyran-4-One; 4H-Furo(3,2-C)Pyran-4-One, Hexahydro-2-Hydroxy-2,3,7-Trimethyl-6-(1-Methyl-2-(Phenylmethoxy)Ethyl)-, (2Alpha,3Alpha,3Aalpha,6Beta(R*),7Alpha,7Aalpha)-(+-)-
• Molecular Formula: C₂₀H₂₈O₅
• Molecular Weight: 348.44
• CAS Registry Number: 125225-47-0
• SMILES: [C@@H]12C(O[C@H]([C@H]([C@@H]1O[C@]([C@H]2C)(C)O)C)C(COCC3=CC=CC=C3)C)=O
• InChI: 1S/C20H28O5/c1-12(10-23-11-15-8-6-5-7-9-15)17-13(2)18-16(19(21)24-17)14(3)20(4,22)25-18/h5-9,12-14,16-18,22H,10-11H2,1-4H3/t12?,13-,14+,16+,17+,18+,20+/m1/s1
• InChIKey: RQQGOIZOEWMGCF-XIJPTECNSA-N

Properties

• Density: 1.123g/cm³ (Cal.)
• Boiling point: 496.25°C at 760 mmHg (Cal.)
• Flash point: 171.38°C (Cal.)