1. Primary Information
| English name: | O-Diacetyldaurisoline |
| CAS No.: | 132139-17-4 |
| Molecular formula: | C41H46N2O8 |
| Molecular weight: | 694.8 g/mol |
| SMILES: | CC(=O)OC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2C)OC)OC(=O)C)OC4=CC=C(C=C4)CC5C6=CC(=C(C=C6CCN5C)OC)OC |
| Structural class: | |
| Other identifiers: |
O,O-bisacetyl-daurisoline O,O-bisacetyldaurisoline |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 10mg | HPLC≥98% | 1920 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[4-[[(1R)-7-acetyloxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenyl] acetate
4.2 InChI
InChI=1S/C41H46N2O8/c1-25(44)49-36-13-10-28(19-35-33-24-41(50-26(2)45)38(47-6)22-30(33)15-17-43(35)4)20-40(36)51-31-11-8-27(9-12-31)18-34-32-23-39(48-7)37(46-5)21-29(32)14-16-42(34)3/h8-13,20-24,34-35H,14-19H2,1-7H3/t34-,35-/m1/s1
4.3 InChIKey
ODWNDEKOMWWXMH-VSJLXWSYSA-N
4.4 Canonical SMILES
CC(=O)OC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2C)OC)OC(=O)C)OC4=CC=C(C=C4)CC5C6=CC(=C(C=C6CCN5C)OC)OC
4.5 Isomeric SMILES
CC(=O)OC1=C(C=C(C=C1)C[C@@H]2C3=CC(=C(C=C3CCN2C)OC)OC(=O)C)OC4=CC=C(C=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)OC
