1. Primary Information
| English name: | Crenulatin |
| CAS No.: | 63026-02-8 |
| Molecular formula: | C11H20O6 |
| Molecular weight: | 248.27 g/mol |
| SMILES: | CC(C)(C=C)OC1C(C(C(C(O1)CO)O)O)O |
| Structural class: | |
| Other identifiers: |
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2-methylbut-3-en-2-yloxy)oxane-3,4,5-triol 1-isopentenyl-3-O-beta-D-glucopyranoside 2-methyl-3-buten-2-ol beta-d-glucopyranoside beta-D-glucopyranoside, 1,1-dimethyl-2-propen-1-yl crenulatin glucoside |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Purchase | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | HPLC≥98.5% | 2000 | Buy now | 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)-2-(hydroxymethyl)-6-(2-methylbut-3-en-2-yloxy)oxane-3,4,5-triol
4.2 InChI
InChI=1S/C11H20O6/c1-4-11(2,3)17-10-9(15)8(14)7(13)6(5-12)16-10/h4,6-10,12-15H,1,5H2,2-3H3/t6-,7-,8+,9-,10+/m1/s1
4.3 InChIKey
ZEGGZNOPAPRAIG-SPFKKGSWSA-N
4.4 Canonical SMILES
CC(C)(C=C)OC1C(C(C(C(O1)CO)O)O)O
4.5 Isomeric SMILES
CC(C)(C=C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)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
