Arnottin I
17,18-dimethoxy-5,7,21-trioxapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-20-one
Also Known As: Arnottin I|17,18-dimethoxy-5,7,21-trioxapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-20-one|2,3-(Methylenedioxy)-7,8-dimethoxy-6H-5-oxachrysene-6-one|1,2-Dimethoxy-8,9-[methylenebis(oxy)]-12H-11-oxachrysene-12-one|1,2-Dimethoxy-13H-benzo[d][1,3]dioxolo[6,7]naphtho[1,2-b]pyran-13-one|1,2-Dimethoxy-9H,13H-[1,3]dioxolo[6,7]naphtho[1,2-c][2]benzopyran-13-one|17,18-dimethoxy-5,7,21-trioxapentacyclo(11.8.0.02,10.04,8.014,19)henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-20-one|17,18-dimethoxy-5,7,21-trioxapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-one
| Molecular Formula | C20H14O6 |
|---|---|
| Molecular Weight | 350.07904 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 350.07904 |
| Monoisotopic Mass | 350.07904 |
| Heavy Atoms | 26 |
| Complexity | 552.0 |
Chemical Identifiers
| CAS Number | 64666-98-4 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C3=C(C4=CC5=C(C=C4C=C3)OCO5)OC2=O)OC |
| InChIKey | AOYQXCYLRJFNFX-UHFFFAOYSA-N |
Product Overview
Arnottin I (CAS 64666-98-4), with molecular formula C20H14O6 and molecular weight 350.07904 g/mol. IUPAC: 17,18-dimethoxy-5,7,21-trioxapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-20-one.