Sumatrol
(1S,6R,13S)-10-hydroxy-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
Also Known As: Sumatrol|beta-Toxicarol|(-)-sumatrol|11-Hydroxyrotenone|(-)-11-hydroxyrotenone|SpecPlus_000445|SUMATROL [MI]|SUMATROL, (-)-|DivK1c_006541|KBio1_001485|(1S,6R,13S)-10-hydroxy-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one|(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-5-hydroxy-2-isopropenyl-8,9-dimethoxy-, (-)-|(1)BENZOPYRANO(3,4-B)FURO(2,3-H)(1)BENZOPYRAN-6(6AH)-ONE, 1,2,12,12A-TETRAHYDRO-5-HYDROXY-8,9-DIMETHOXY-2-(1-METHYLETHENYL)-, (2R,6AS,12AS)-|(1S,6R,13S)-10-hydroxy-16,17-dimethoxy-6-(prop-1-en-2-yl)-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3,8,10,14(19),15,17-hexaen-12-one|(1S,6R,13S)-10-hydroxy-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo(11.8.0.03,11.04,8.014,19)henicosa-3(11),4(8),9,14,16,18-hexaen-12-one|(2R)-1,2,12,12aalpha-Tetrahydro-5-hydroxy-2alpha-isopropenyl-8,9-dimethoxy[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aalphaH)-one|(2R)-1,2,12,12aalpha-Tetrahydro-5-hydroxy-8,9-dimethoxy-2-(1-methylethenyl)[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aalphaH)-one|(2R,6aS,12aS)-1,2,12,12a-Tetrahydro-5-hydroxy-8 ,9-dimethoxy-2-(1-methylethenyl)[1]benzopyrano[3,4-b]furo[2 ,3-h][1]benzopyran-6(6aH-one|(2R,6aS,12aS)-5-Hydroxy-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one|(2R-(2.ALPHA.,6A.ALPHA.,12A.ALPHA.))-1,2,12,12A-TETRAHYDRO-5-HYDROXY-8,9-DIMETHOXY-2-(1-METHYLETHENYL)-(1)BENZOPYRANO(3,4-B)FURO(2,3-H)(1)BENZOPYRAN-6(6AH)-ONE|[1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one,1,2,12,12a-tetrahydro-5-hydroxy-8,9-dimethoxy-2-(1-methylethenyl)-,(2R,6aS,12aS)-
| Molecular Formula | C23H22O7 |
|---|---|
| Molecular Weight | 410.13657 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 410.13657 |
| Monoisotopic Mass | 410.13657 |
| Heavy Atoms | 30 |
| Complexity | 695.0 |
Chemical Identifiers
| CAS Number | 82-10-0 |
|---|---|
| SMILES | CC(=C)[C@H]1CC2=C(O1)C=C(C3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC)O |
| InChIKey | ZPEHYKMRUBEPSQ-XMCHAPAWSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sumatrol (CAS 82-10-0), with molecular formula C23H22O7 and molecular weight 410.13657 g/mol. IUPAC: (1S,6R,13S)-10-hydroxy-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one.