1. Primary Information
| English name: | Magnolianin |
| CAS No.: | 147663-91-0 |
| Molecular formula: | C54H50O8 |
| Molecular weight: | 827.0 g/mol |
| SMILES: | C=CCC1=CC=C(C=C1)OC2=CC(=CC3=C2OC(C(O3)C4=CC(=C(C(=C4)OC5=CC=C(C=C5)CC=C)O)O)COC6=C(C=C(C=C6)CC=C)C7=C(C=CC(=C7)CC=C)O)CC=C |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | HPLC≥98% | 5760 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
5-[(2S,3S)-3-[[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]methyl]-7-prop-2-enyl-5-(4-prop-2-enylphenoxy)-2,3-dihydro-1,4-benzodioxin-2-yl]-3-(4-prop-2-enylphenoxy)benzene-1,2-diol
4.2 InChI
InChI=1S/C54H50O8/c1-6-11-35-16-22-41(23-17-35)59-48-33-40(32-46(56)52(48)57)53-51(34-58-47-27-21-38(14-9-4)29-44(47)43-28-37(13-8-3)20-26-45(43)55)62-54-49(30-39(15-10-5)31-50(54)61-53)60-42-24-18-36(12-7-2)19-25-42/h6-10,16-33,51,53,55-57H,1-5,11-15,34H2/t51-,53-/m0/s1
4.3 InChIKey
CEXVGDLGKOJDMY-XXWZEBKPSA-N
4.4 Canonical SMILES
C=CCC1=CC=C(C=C1)OC2=CC(=CC3=C2OC(C(O3)C4=CC(=C(C(=C4)OC5=CC=C(C=C5)CC=C)O)O)COC6=C(C=C(C=C6)CC=C)C7=C(C=CC(=C7)CC=C)O)CC=C
4.5 Isomeric SMILES
C=CCC1=CC=C(C=C1)OC2=CC(=CC3=C2O[C@H]([C@@H](O3)C4=CC(=C(C(=C4)OC5=CC=C(C=C5)CC=C)O)O)COC6=C(C=C(C=C6)CC=C)C7=C(C=CC(=C7)CC=C)O)CC=C
