1. Primary Information
| English name: | 2-[Bis[2-(12-hydroxyoctadec-9-enoyloxy)ethyl]amino]ethyl 12-hydroxyoctadec-9-enoate |
| CAS No.: | 8007-70-3 |
| Molecular formula: | C60H111NO9 |
| Molecular weight: | 990.5 g/mol |
| SMILES: | CCCCCCC(CC=CCCCCCCCC(=O)OCCN(CCOC(=O)CCCCCCCC=CCC(CCCCCC)O)CCOC(=O)CCCCCCCC=CCC(CCCCCC)O)O |
| Structural class: | |
| Other identifiers: |
anise oil anise seed aniseed anisi aetheroleum anisi fructus |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5ml | HPLC≥98% | 112 | RT | in stock | - |
| Kehua Intelligence | 100ml | 95%(HPLC) | 70 | RT | in stock | - |
| Kehua Intelligence | 500ml | 95%(HPLC) | 256 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
2-[bis[2-(12-hydroxyoctadec-9-enoyloxy)ethyl]amino]ethyl 12-hydroxyoctadec-9-enoate
4.2 InChI
InChI=1S/C60H111NO9/c1-4-7-10-31-40-55(62)43-34-25-19-13-16-22-28-37-46-58(65)68-52-49-61(50-53-69-59(66)47-38-29-23-17-14-20-26-35-44-56(63)41-32-11-8-5-2)51-54-70-60(67)48-39-30-24-18-15-21-27-36-45-57(64)42-33-12-9-6-3/h25-27,34-36,55-57,62-64H,4-24,28-33,37-54H2,1-3H3
4.3 InChIKey
JOLSSKSFGRJXSN-UHFFFAOYSA-N
4.4 Canonical SMILES
CCCCCCC(CC=CCCCCCCCC(=O)OCCN(CCOC(=O)CCCCCCCC=CCC(CCCCCC)O)CCOC(=O)CCCCCCCC=CCC(CCCCCC)O)O
4.5 Isomeric SMILES
-
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 --
