1. Primary Information
| English name: | [(3S,4R,5S)-5-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl benzoate |
| CAS No.: | 1097040-08-8 |
| Molecular formula: | C25H30O11 |
| Molecular weight: | 506.5 g/mol |
| SMILES: | C1C(C(C(O1)OC2C(C(C(OC2OCC3=CC=CC=C3)CO)O)O)O)(COC(=O)C4=CC=CC=C4)O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | HPLC≥96% | 5200 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[(3S,4R,5S)-5-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl benzoate
4.2 InChI
InChI=1S/C25H30O11/c26-11-17-18(27)19(28)20(23(35-17)32-12-15-7-3-1-4-8-15)36-24-21(29)25(31,14-34-24)13-33-22(30)16-9-5-2-6-10-16/h1-10,17-21,23-24,26-29,31H,11-14H2/t17-,18-,19+,20-,21+,23-,24+,25-/m1/s1
4.3 InChIKey
UQEAONIAGTVXDV-KXQNOTADSA-N
4.4 Canonical SMILES
C1C(C(C(O1)OC2C(C(C(OC2OCC3=CC=CC=C3)CO)O)O)O)(COC(=O)C4=CC=CC=C4)O
4.5 Isomeric SMILES
C1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OCC3=CC=CC=C3)CO)O)O)O)(COC(=O)C4=CC=CC=C4)O
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
-- No 3D model data available --
