1. Primary Information
| English name: | 4-[(2R,3R)-3-(3,5-dihydroxyphenyl)-7-[(2R,3R)-3-(3,5-dihydroxyphenyl)-4-hydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]-4-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol |
| CAS No.: | 809237-87-4 |
| Molecular formula: | C42H32O11 |
| Molecular weight: | 712.7 g/mol |
| SMILES: | C1=CC(=CC=C1C=CC2=CC(=C3C(C(OC3=C2)C4=C5C(=C(C=C4)O)C(C(O5)C6=C(C=C(C=C6)O)O)C7=CC(=CC(=C7)O)O)C8=CC(=CC(=C8)O)O)O)O |
| 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
4-[(2R,3R)-3-(3,5-dihydroxyphenyl)-7-[(2R,3R)-3-(3,5-dihydroxyphenyl)-4-hydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]-4-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol
4.2 InChI
InChI=1S/C42H32O11/c43-24-5-3-20(4-6-24)1-2-21-11-34(51)38-35(12-21)52-41(36(38)22-13-26(45)17-27(46)14-22)31-9-10-32(49)39-37(23-15-28(47)18-29(48)16-23)40(53-42(31)39)30-8-7-25(44)19-33(30)50/h1-19,36-37,40-41,43-51H/b2-1+/t36-,37-,40+,41+/m1/s1
4.3 InChIKey
RSCPVPKROFWCSQ-NGDBKFESSA-N
4.4 Canonical SMILES
C1=CC(=CC=C1C=CC2=CC(=C3C(C(OC3=C2)C4=C5C(=C(C=C4)O)C(C(O5)C6=C(C=C(C=C6)O)O)C7=CC(=CC(=C7)O)O)C8=CC(=CC(=C8)O)O)O)O
4.5 Isomeric SMILES
C1=CC(=CC=C1/C=C/C2=CC(=C3[C@H]([C@@H](OC3=C2)C4=C5C(=C(C=C4)O)[C@H]([C@@H](O5)C6=C(C=C(C=C6)O)O)C7=CC(=CC(=C7)O)O)C8=CC(=CC(=C8)O)O)O)O
