InteriotherinA
(3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaen-11-yl) benzoate
Also Known As: InteriotherinA|Interiotherin A|Interiotherins A|(-)-Interiotherin A|HY-N6849|TN1767|(3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaen-11-yl) benzoate|Cycloocta(1,2-f:3,4-f')bis(1,3)benzodioxol-5-ol, 5,6,7,8-tetrahydro-13,14-dimethoxy-6,7-dimethyl-, benzoate, (5R,6S,7S,13aS)-|Cycloocta(1,2-f:3,4-f')bis(1,3)benzodioxol-5-ol, 5,6,7,8-tetrahydro-13,14-dimethoxy-6,7-dimethyl-, benzoate, stereoisomer|13,14-Dimethoxy-6,7-dimethyl-5,6,7,8-tetrahydro-2H,11H-[1,3]benzodioxolo[5',6':3,4]cycloocta[1,2-f][1,3]benzodioxol-5-yl benzoate|13,14-dimethoxy-6,7-dimethyl-5,6,7,8-tetrahydro[1,3]benzodioxolo[5',6':3,4]cycloocta[1,2-f][1,3]benzodioxol-5-yl benzoate (non-preferred name)
| Molecular Formula | C29H28O8 |
|---|---|
| Molecular Weight | 504.1784 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 504.1784 |
| Monoisotopic Mass | 504.1784 |
| Heavy Atoms | 37 |
| Complexity | 801.0 |
Chemical Identifiers
| CAS Number | 181701-06-4 |
|---|---|
| SMILES | CC1CC2=CC3=C(C(=C2C4=C(C5=C(C=C4C(C1C)OC(=O)C6=CC=CC=C6)OCO5)OC)OC)OCO3 |
| InChIKey | MBGKPRSARHEFAG-UHFFFAOYSA-N |
Product Overview
InteriotherinA (CAS 181701-06-4), with molecular formula C29H28O8 and molecular weight 504.1784 g/mol. IUPAC: (3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaen-11-yl) benzoate.
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