1. Primary Information
| English name: | EOS-d9 (d18:1-d9/32:0/18:2) |
| CAS No.: | 2692624-26-1 |
| Molecular formula: | C68H129NO5 |
| Molecular weight: | 1049.8 g/mol |
| SMILES: | CCCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCC=CCC=CCCCCC)O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1mg | >99% | 15448 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[32-[[(E,2S,3R)-15,15,16,16,17,17,18,18,18-nonadeuterio-1,3-dihydroxyoctadec-4-en-2-yl]amino]-32-oxodotriacontyl] (9Z,12Z)-octadeca-9,12-dienoate
4.2 InChI
InChI=1S/C68H129NO5/c1-3-5-7-9-11-13-15-17-33-38-42-46-50-54-58-62-68(73)74-63-59-55-51-47-43-39-35-32-30-28-26-24-22-20-18-19-21-23-25-27-29-31-34-37-41-45-49-53-57-61-67(72)69-65(64-70)66(71)60-56-52-48-44-40-36-16-14-12-10-8-6-4-2/h11,13,17,33,56,60,65-66,70-71H,3-10,12,14-16,18-32,34-55,57-59,61-64H2,1-2H3,(H,69,72)/b13-11-,33-17-,60-56+/t65-,66+/m0/s1/i2D3,4D2,6D2,8D2
4.3 InChIKey
NKZDGPMKCOVGRH-SIBFFXIQSA-N
4.4 Canonical SMILES
CCCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCC=CCC=CCCCCC)O
4.5 Isomeric SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])CCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC/C=C\C/C=C\CCCCC)O
