1. Primary Information
| English name: | Thalibealine |
| CAS No.: | 351531-39-0 |
| Molecular formula: | C42H48N2O9 |
| Molecular weight: | 724.8 g/mol |
| SMILES: | CN1CCC2=C3C1CC4=CC(=C(C=C4C3=C(C(=C2OC)OC)OC)OC)OC5=C6CC7C8=CC(=C(C=C8CCN7CC6=CC(=C5OC)OC)OC)OC |
| Structural class: | |
| Other identifiers: |
thalibealine |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | HPLC≥97% | 6320 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(13aR)-2,3,10,11-tetramethoxy-12-[(1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl)oxy]-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
4.2 InChI
InChI=1S/C42H48N2O9/c1-43-12-11-25-36-30(43)14-23-16-34(33(47-4)20-27(23)37(36)41(51-8)42(52-9)38(25)49-6)53-39-28-18-29-26-19-32(46-3)31(45-2)15-22(26)10-13-44(29)21-24(28)17-35(48-5)40(39)50-7/h15-17,19-20,29-30H,10-14,18,21H2,1-9H3/t29-,30?/m1/s1
4.3 InChIKey
AFLFUXQTWZZMDX-IDCGIGBZSA-N
4.4 Canonical SMILES
CN1CCC2=C3C1CC4=CC(=C(C=C4C3=C(C(=C2OC)OC)OC)OC)OC5=C6CC7C8=CC(=C(C=C8CCN7CC6=CC(=C5OC)OC)OC)OC
4.5 Isomeric SMILES
CN1CCC2=C3C1CC4=CC(=C(C=C4C3=C(C(=C2OC)OC)OC)OC)OC5=C6C[C@@H]7C8=CC(=C(C=C8CCN7CC6=CC(=C5OC)OC)OC)OC
