(1'beta)-10,11-Dimethoxytubulosan-8'-ol
(1S)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol
Also Known As: Isotubulosine|Tubulosine|1 -Isotubulosine|10,11-Dimethoxytubulosan-8'-ol|KST-1A6947|(1'|A)-10,11-dimethoxytubulosan-8'-ol|(1'beta)-10,11-Dimethoxytubulosan-8'-ol|10,11-Dimethoxytubulosan-8'-ol (1'beta)-|10,11-Dimethoxy-1'beta-tubulosan-8'-ol|Tubulosan-8'-ol, 10,11-dimethoxy-, (1'beta)-|(1 S)-10,11-Dimethoxytubulosan-8 -ol|Tubulosan-8'-ol, 10,11-dimethoxy-, (1'.beta.)-|(1S)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol|(1S)-1-{[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-1H,2H,3H,4H,6H,7H,11bH-pyrido[2,1-a]isoquinolin-2-yl]methyl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-6-ol|(S)-1-((2S,3R,11bS)-3-Ethyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-ylmethyl)-2,3,4,9-tetrahydro-1H-|A-carbolin-6-ol
| Molecular Formula | C29H37N3O3 |
|---|---|
| Molecular Weight | 475.28348 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 69.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 475.28348 |
| Monoisotopic Mass | 475.28348 |
| Heavy Atoms | 35 |
| Complexity | 723.0 |
Chemical Identifiers
| CAS Number | 6344-16-7 |
|---|---|
| SMILES | CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@H]4C5=C(CCN4)C6=C(N5)C=CC(=C6)O)OC)OC |
| InChIKey | JRVWIILYWSBUMC-CMWZJFIZSA-N |
Product Overview
(1'beta)-10,11-Dimethoxytubulosan-8'-ol (CAS 6344-16-7), with molecular formula C29H37N3O3 and molecular weight 475.28348 g/mol. IUPAC: (1S)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol.