Austrobailignan 1
5-(7-methoxy-1,3-benzodioxol-5-yl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
Also Known As: Austrobailignan 1|5-(7-methoxy-1,3-benzodioxol-5-yl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5ah)-one|5-(7-methoxy-1,3-benzodioxol-5-yl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
| Molecular Formula | C21H18O7 |
|---|---|
| Molecular Weight | 382.10526 g/mol |
| LogP | 2.63 |
| Topological Polar Surface Area | 72.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 382.10526 |
| Heavy Atoms | 28 |
| Complexity | 998.7 |
Chemical Identifiers
| CAS Number | 5757-83-5 |
|---|---|
| SMILES | COC1=CC(=CC2=C1OCO2)C3C4C(CC5=CC6=C(C=C35)OCO6)COC4=O |
Product Overview
Austrobailignan 1 (CAS 5757-83-5), with molecular formula C21H18O7 and molecular weight 382.10526 g/mol. IUPAC: 5-(7-methoxy-1,3-benzodioxol-5-yl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one.
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