1. Primary Information
| English name: | 2,4,3',4',6'-Penta-O-(3-methylbutanoyl)sucrose |
| CAS No.: | 150302-84-4 |
| Molecular formula: | C37H62O16 |
| Molecular weight: | 762.9 g/mol |
| SMILES: | CC(C)CC(=O)OCC1C(C(C(O1)(CO)OC2C(C(C(C(O2)CO)OC(=O)CC(C)C)O)OC(=O)CC(C)C)OC(=O)CC(C)C)OC(=O)CC(C)C |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | HPLC≥96.5% | 5760 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[(2R,3R,4S,5S)-5-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-bis(3-methylbutanoyloxy)oxan-2-yl]oxy-5-(hydroxymethyl)-3,4-bis(3-methylbutanoyloxy)oxolan-2-yl]methyl 3-methylbutanoate
4.2 InChI
InChI=1S/C37H62O16/c1-19(2)11-26(40)46-17-25-33(49-28(42)13-21(5)6)35(51-30(44)15-23(9)10)37(18-39,52-25)53-36-34(50-29(43)14-22(7)8)31(45)32(24(16-38)47-36)48-27(41)12-20(3)4/h19-25,31-36,38-39,45H,11-18H2,1-10H3/t24-,25-,31+,32-,33-,34-,35+,36-,37+/m1/s1
4.3 InChIKey
BPEAFRRQIZTAFP-FIDYUFFFSA-N
4.4 Canonical SMILES
CC(C)CC(=O)OCC1C(C(C(O1)(CO)OC2C(C(C(C(O2)CO)OC(=O)CC(C)C)O)OC(=O)CC(C)C)OC(=O)CC(C)C)OC(=O)CC(C)C
4.5 Isomeric SMILES
CC(C)CC(=O)OC[C@@H]1[C@H]([C@@H]([C@](O1)(CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OC(=O)CC(C)C)O)OC(=O)CC(C)C)OC(=O)CC(C)C)OC(=O)CC(C)C
