Isorotenone
(1S,13S)-16,17-dimethoxy-6-propan-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14,16,18-heptaen-12-one
Also Known As: Isorotenone|Sclerotiorin|Spectrum_000483|SpecPlus_000260|Spectrum2_000209|Spectrum3_000155|Spectrum4_001482|Spectrum5_000183|BSPBio_001890|KBioGR_002083|KBioSS_000963|SPECTRUM200015|DivK1c_006356|SPBio_000197|ERK5-4N06|KBio1_001300|KBio2_000963|KBio2_003531|KBio2_006099|KBio3_001110|LSM-2115|SDCCGMLS-0066403.P001|SR-05000002638-1|BRD-K06198550-001-01-3|(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 12,12a-dihydro-2-isopropyl-8,9-dimethoxy-|(1S,13S)-16,17-dimethoxy-6-propan-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14,16,18-heptaen-12-one|(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 12,12a-dihydro-8,9-dimethoxy-2-(1-methylethyl)-, (6aS-cis)-|2-Isopropyl-8,9-dimethoxy-12,12a-dihydro-6aH-chromeno(3,4-b)furo(2,3-h)chromen-6-one|(6aS,12aS)-8,9-Dimethoxy-2-(propan-2-yl)-12,12a-dihydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one
| Molecular Formula | C23H22O6 |
|---|---|
| Molecular Weight | 394.14163 g/mol |
| LogP | 4.6933 |
| Topological Polar Surface Area | 67.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 394.14163 |
| Monoisotopic Mass | 394.14163 |
| Heavy Atoms | 29 |
| Complexity | 1126.0887 |
Chemical Identifiers
| CAS Number | 549-22-4 |
|---|---|
| SMILES | CC(C)C1=CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC |
Product Overview
Isorotenone (CAS 549-22-4), with molecular formula C23H22O6 and molecular weight 394.14163 g/mol. IUPAC: (1S,13S)-16,17-dimethoxy-6-propan-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14,16,18-heptaen-12-one.