1. Primary Information
| English name: | 6,6'-Di-O-sinapoylsucrose |
| CAS No.: | 1068661-35-7 |
| Molecular formula: | C34H42O19 |
| Molecular weight: | 754.7 g/mol |
| SMILES: | COC1=CC(=CC(=C1O)OC)C=CC(=O)OCC2C(C(C(C(O2)OC3(C(C(C(O3)COC(=O)C=CC4=CC(=C(C(=C4)OC)O)OC)O)O)CO)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≥97% | 5760 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[(2R,3S,4S,5R,6S)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-5-[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]-2-(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
4.2 InChI
InChI=1S/C34H42O19/c1-45-18-9-16(10-19(46-2)26(18)38)5-7-24(36)49-13-22-28(40)30(42)31(43)33(51-22)53-34(15-35)32(44)29(41)23(52-34)14-50-25(37)8-6-17-11-20(47-3)27(39)21(12-17)48-4/h5-12,22-23,28-33,35,38-44H,13-15H2,1-4H3/b7-5+,8-6+/t22-,23-,28-,29-,30+,31-,32+,33+,34+/m1/s1
4.3 InChIKey
SWQXZNQYKZIRJS-MGQMONGZSA-N
4.4 Canonical SMILES
COC1=CC(=CC(=C1O)OC)C=CC(=O)OCC2C(C(C(C(O2)OC3(C(C(C(O3)COC(=O)C=CC4=CC(=C(C(=C4)OC)O)OC)O)O)CO)O)O)O
4.5 Isomeric SMILES
COC1=CC(=CC(=C1O)OC)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@]3([C@H]([C@@H]([C@H](O3)COC(=O)/C=C/C4=CC(=C(C(=C4)OC)O)OC)O)O)CO)O)O)O
