1. Primary Information
| English name: | 1,6,2',6'-O-Tetraacetyl-3-O-trans-p-coumaroylsucrose |
| CAS No.: | 138195-49-0 |
| Molecular formula: | C29H36O17 |
| Molecular weight: | 656.6 g/mol |
| SMILES: | CC(=O)OCC1C(C(C(C(O1)OC2(C(C(C(O2)COC(=O)C)O)OC(=O)C=CC3=CC=C(C=C3)O)COC(=O)C)OC(=O)C)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% | 5760 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[2-[3-acetyloxy-6-(acetyloxymethyl)-4,5-dihydroxyoxan-2-yl]oxy-2,5-bis(acetyloxymethyl)-4-hydroxyoxolan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
4.2 InChI
InChI=1S/C29H36O17/c1-14(30)39-11-20-23(36)25(38)26(42-17(4)33)28(43-20)46-29(13-41-16(3)32)27(24(37)21(45-29)12-40-15(2)31)44-22(35)10-7-18-5-8-19(34)9-6-18/h5-10,20-21,23-28,34,36-38H,11-13H2,1-4H3/b10-7+
4.3 InChIKey
QTCGKWBMZVFTMC-JXMROGBWSA-N
4.4 Canonical SMILES
CC(=O)OCC1C(C(C(C(O1)OC2(C(C(C(O2)COC(=O)C)O)OC(=O)C=CC3=CC=C(C=C3)O)COC(=O)C)OC(=O)C)O)O
4.5 Isomeric SMILES
CC(=O)OCC1C(C(C(C(O1)OC2(C(C(C(O2)COC(=O)C)O)OC(=O)/C=C/C3=CC=C(C=C3)O)COC(=O)C)OC(=O)C)O)O
