(l)-Edunol
(1R,12R)-15-(3-methylbut-2-enyl)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-ol
Also Known As: (l)-Edunol|Edunol, (-)-|(?)-Edunol|(-)-EDUNOL|NCI60_003227|(-)-2-ISOPENTENYL-3-HYDROXY-8,9-METHYLENEDIOXYPTEROCARPAN|(6aR,12aR)-2-(3-Methylbut-2-en-1-yl)-6a,12a-dihydro-6H,9H-[1,3]dioxolo[5,6][1]benzofuro[3,2-c][1]benzopyran-3-ol|(6aR,12aR)-2-(3-Methylbut-2-en-1-yl)-6a,12a-dihydro-6H-[1,3]dioxolo[4',5':5,6]benzofuro[3,2-c]chromen-3-ol|(6AR,12AR)-6A,12A-DIHYDRO-2-(3-METHYL-2-BUTEN-1-YL)-6H-(1,3)DIOXOLO(5,6)BENZOFURO(3,2-C)(1)BENZOPYRAN-3-OL|2-(3-Methylbut-2-en-1-yl)-6a,12a-dihydro-6H,9H-[1,3]dioxolo[5,6][1]benzofuro[3,2-c][1]benzopyran-3-ol|6H-(1,3)DIOXOLO(5,6)BENZOFURO(3,2-C)(1)BENZOPYRAN-3-OL, 6A,12A-DIHYDRO-2-(3-METHYL-2-BUTEN-1-YL)-, (6AR,12AR)-|6H-(1,3)dioxolo(5,6)benzofuro(3,2-c)(1)benzopyran-3-ol, 6a,12a-dihydro-2-(3-methyl-2-butenyl)-|6H-(1,3)DIOXOLO(5,6)BENZOFURO(3,2-C)(1)BENZOPYRAN-3-OL, 6A,12A-DIHYDRO-2-(3-METHYL-2-BUTENYL)-, (6AR-CIS)-
| Molecular Formula | C21H20O5 |
|---|---|
| Molecular Weight | 352.13107 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.13107 |
| Monoisotopic Mass | 352.13107 |
| Heavy Atoms | 26 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 33909-74-9 |
|---|---|
| SMILES | CC(=CCC1=CC2=C(C=C1O)OC[C@@H]3[C@H]2OC4=CC5=C(C=C34)OCO5)C |
| InChIKey | UFBHHWPUVXVFRG-BTYIYWSLSA-N |
Product Overview
(l)-Edunol (CAS 33909-74-9), with molecular formula C21H20O5 and molecular weight 352.13107 g/mol. IUPAC: (1R,12R)-15-(3-methylbut-2-enyl)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-ol.