(5R,5aR,8aS,9R)-5-Ethoxy-9-(3,4,5-Trimethoxyphenyl)-5a,6,8a,9-Tetrahydro-5H-Isobenzofurano[5,6-f][1,3]Benzodioxol-8-One
[CAS# 106709-55-1]

Identification

• Name: (5R,5aR,8aS,9R)-5-Ethoxy-9-(3,4,5-Trimethoxyphenyl)-5a,6,8a,9-Tetrahydro-5H-Isobenzofurano[5,6-f][1,3]Benzodioxol-8-One
• Synonyms: (5R-(5Alpha,5Aalpha,8Aalpha,9Alpha))-9-Ethoxy-5,8,8A,9-Tetrahydro-5-(3,4,5-Trimethoxyphenyl)Furo(3',4':6,7)Naphtho(2,3-D)-1,3-Dioxol-6(5Ah)-One; Furo(3',4':6,7)Naphtho(2,3-D)-1,3-Dioxol-6(5Ah)-One, 9-Ethoxy-5,8,8A,9-Tetrahydro-5-(3,4,5-Trimethoxyphenyl)-, (5R-(5Alpha,5Aalpha,8Aalpha,9Alpha))-
• Molecular Formula: C₂₄H₂₆O₈
• Molecular Weight: 442.46
• CAS Registry Number: 106709-55-1
• SMILES: [C@@H]3(C2=C(C=C1OCOC1=C2)[C@H]([C@H]4[C@@H]3COC4=O)C5=CC(=C(C(=C5)OC)OC)OC)OCC
• InChI: 1S/C24H26O8/c1-5-29-22-14-9-17-16(31-11-32-17)8-13(14)20(21-15(22)10-30-24(21)25)12-6-18(26-2)23(28-4)19(7-12)27-3/h6-9,15,20-22H,5,10-11H2,1-4H3/t15-,20+,21+,22-/m0/s1
• InChIKey: STGBBEULPHACPI-RGXPITOMSA-N

Properties

• Density: 1.347g/cm³ (Cal.)
• Boiling point: 580.908°C at 760 mmHg (Cal.)
• Flash point: 251.177°C (Cal.)