Austrobailignan 2
[CAS# 55890-20-5]

Identification

• Name: Austrobailignan 2
• Synonyms: (5R-(5Alpha,5Aalpha,8Aalpha))-5,8,8A,9-Tetrahydro-5-(7-Methoxy-1,3-Benzodioxol-5-Yl)Furo(3',4:6,7)Naphtho(2,3-D)-1,3-Dioxol-6(5Ah)-One; Austrobailignan 2; Furo(3',4':6,7)Naphtho(2,3-D)-1,3-Dioxol-6(5Ah)-One, 5,8,8A,9-Tetrahydro-5-(7-Methoxy-1,3-Benzodioxol-5-Yl)-, (5R-(5Alpha,5Aalpha,8Aalpha))-
• Molecular Formula: C₂₁H₁₈O₇
• Molecular Weight: 382.37
• CAS Registry Number: 55890-20-5
• SMILES: [C@@H]34CC5=C(C(C1=CC2=C(C(=C1)OC)OCO2)[C@@H]3C(OC4)=O)C=C6C(=C5)OCO6
• InChI: 1S/C21H18O7/c1-23-16-4-11(5-17-20(16)28-9-27-17)18-13-6-15-14(25-8-26-15)3-10(13)2-12-7-24-21(22)19(12)18/h3-6,12,18-19H,2,7-9H2,1H3/t12-,18?,19+/m0/s1
• InChIKey: GROYKMASYUMFER-NTUDLEHASA-N

Properties

• Density: 1.424g/cm³ (Cal.)
• Boiling point: 568.762°C at 760 mmHg (Cal.)
• Flash point: 251.167°C (Cal.)