1. Primary Information
| English name: | CID 134813607 |
| CAS No.: | 85178-60-5 |
| Molecular formula: | C26H41NAO9 |
| Molecular weight: | 520.6 g/mol |
| SMILES: | CC(C1C(O1)CC2COC(C(C2O)O)CC(=CC(=O)OCCCCC=CCCC(=O)[O-])C)C(C)O.[Na+] |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | ≥90% | 39760 | -20°C | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
sodium;(E)-9-[(E)-4-[(2R,3R,4R)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2R,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methylbut-2-enoyl]oxynon-4-enoate
4.2 InChI
InChI=1S/C26H42O9.Na/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27;/h4,6,13,17-21,24-27,31-32H,5,7-12,14-15H2,1-3H3,(H,28,29);/q;+1/p-1/b6-4+,16-13+;/t17-,18+,19?,20-,21+,24-,25+,26+;/m1./s1
4.3 InChIKey
SMEUVQBMXYPYPL-IDOAYEIASA-M
4.4 Canonical SMILES
CC(C1C(O1)CC2COC(C(C2O)O)CC(=CC(=O)OCCCCC=CCCC(=O)[O-])C)C(C)O.[Na+]
4.5 Isomeric SMILES
C[C@@H]([C@H]1[C@@H](O1)CC2CO[C@@H]([C@@H]([C@@H]2O)O)C/C(=C/C(=O)OCCCC/C=C/CCC(=O)[O-])/C)[C@H](C)O.[Na+]
