1. Primary Information
| English name: | (2R,2'R,3R,3'R)-6,6'-Methylenebis(5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-6,3-diyl) bis(3,4,5-trihydroxybenzoate) |
| CAS No.: | 126716-06-1 |
| Molecular formula: | C45H36O22 |
| Molecular weight: | 928.8 g/mol |
| SMILES: | C1C(C(OC2=C1C(=C(C(=C2)O)CC3=C(C4=C(C=C3O)OC(C(C4)OC(=O)C5=CC(=C(C(=C5)O)O)O)C6=CC(=C(C(=C6)O)O)O)O)O)C7=CC(=C(C(=C7)O)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 2mg | 98%(HPLC) | 9440 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[(2R,3R)-6-[[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]methyl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
4.2 InChI
InChI=1S/C45H36O22/c46-22-12-32-20(10-34(42(64-32)14-1-24(48)38(58)25(49)2-14)66-44(62)16-5-28(52)40(60)29(53)6-16)36(56)18(22)9-19-23(47)13-33-21(37(19)57)11-35(43(65-33)15-3-26(50)39(59)27(51)4-15)67-45(63)17-7-30(54)41(61)31(55)8-17/h1-8,12-13,34-35,42-43,46-61H,9-11H2/t34-,35-,42-,43-/m1/s1
4.3 InChIKey
XFXWWUQNBXYTCW-SBTBOKMESA-N
4.4 Canonical SMILES
C1C(C(OC2=C1C(=C(C(=C2)O)CC3=C(C4=C(C=C3O)OC(C(C4)OC(=O)C5=CC(=C(C(=C5)O)O)O)C6=CC(=C(C(=C6)O)O)O)O)O)C7=CC(=C(C(=C7)O)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O
4.5 Isomeric SMILES
C1[C@H]([C@H](OC2=C1C(=C(C(=C2)O)CC3=C(C4=C(C=C3O)O[C@@H]([C@@H](C4)OC(=O)C5=CC(=C(C(=C5)O)O)O)C6=CC(=C(C(=C6)O)O)O)O)O)C7=CC(=C(C(=C7)O)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O
