1. Primary Information
| English name: | Dracoflavan A |
| CAS No.: | 132185-42-3 |
| Molecular formula: | C49H46O10 |
| Molecular weight: | 794.9 g/mol |
| SMILES: | CC1=C(C(=C(C=C1O)OC(=O)C2=CC=CC=C2)CC(C3=C4C(=C(C=C3O)OC)CCC(O4)C5=CC=CC=C5)C6=C7C(=C(C=C6O)OC)CCC(O7)C8=CC=CC=C8)OC |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | HPLC≥95% | 3360 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[2-[2,2-bis[(2S)-7-hydroxy-5-methoxy-2-phenyl-3,4-dihydro-2H-chromen-8-yl]ethyl]-5-hydroxy-3-methoxy-4-methylphenyl] benzoate
4.2 InChI
InChI=1S/C49H46O10/c1-28-36(50)25-43(59-49(53)31-18-12-7-13-19-31)34(46(28)56-4)24-35(44-37(51)26-41(54-2)32-20-22-39(57-47(32)44)29-14-8-5-9-15-29)45-38(52)27-42(55-3)33-21-23-40(58-48(33)45)30-16-10-6-11-17-30/h5-19,25-27,35,39-40,50-52H,20-24H2,1-4H3/t39-,40-/m0/s1
4.3 InChIKey
VOQIJACLUQIMIE-ZAQUEYBZSA-N
4.4 Canonical SMILES
CC1=C(C(=C(C=C1O)OC(=O)C2=CC=CC=C2)CC(C3=C4C(=C(C=C3O)OC)CCC(O4)C5=CC=CC=C5)C6=C7C(=C(C=C6O)OC)CCC(O7)C8=CC=CC=C8)OC
4.5 Isomeric SMILES
CC1=C(C(=C(C=C1O)OC(=O)C2=CC=CC=C2)CC(C3=C4C(=C(C=C3O)OC)CC[C@H](O4)C5=CC=CC=C5)C6=C7C(=C(C=C6O)OC)CC[C@H](O7)C8=CC=CC=C8)OC
