1. Primary Information
| English name: | 30-[[2-Hydroxy-1-(hydroxymethyl)-3-heptadecen-1-yl]amino]-30-oxotriacontylester,9,12-octadecadienoicacid |
| CAS No.: | 97040-38-5 |
| Molecular formula: | C66H125NO5 |
| Molecular weight: | 1012.7 g/mol |
| SMILES: | CCCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=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 | >98% | 13088 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[30-[[(E)-1,3-dihydroxyoctadec-4-en-2-yl]amino]-30-oxotriacontyl] (9Z,12Z)-octadeca-9,12-dienoate
4.2 InChI
InChI=1S/C66H125NO5/c1-3-5-7-9-11-13-15-17-31-36-40-44-48-52-56-60-66(71)72-61-57-53-49-45-41-37-33-30-28-26-24-22-20-18-19-21-23-25-27-29-32-35-39-43-47-51-55-59-65(70)67-63(62-68)64(69)58-54-50-46-42-38-34-16-14-12-10-8-6-4-2/h11,13,17,31,54,58,63-64,68-69H,3-10,12,14-16,18-30,32-53,55-57,59-62H2,1-2H3,(H,67,70)/b13-11-,31-17-,58-54+
4.3 InChIKey
CJKGLEVYDCRGBX-UUHZUQCYSA-N
4.4 Canonical SMILES
CCCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCC=CCC=CCCCCC)O
4.5 Isomeric SMILES
CCCCCCCCCCCCC/C=C/C(C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC/C=C\C/C=C\CCCCC)O
