1. Primary Information
| English name: | Cholesteryl linoleate |
| CAS No.: | 604-33-1 |
| Molecular formula: | C45H76O2 |
| Molecular weight: | 649.1 g/mol |
| SMILES: | CCCCCC=CCC=CCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C |
| Structural class: | |
| Other identifiers: |
cholesteryl linoleate cholesteryl linoleate, (E,E)-isomer cholesteryl linoleate, (E,Z)-isomer cholesteryl linoleate, (Z,E)-isomer cholesteryl linolelaidate |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | ≥98% | 1272 | -20℃ | in stock | - |
| Kehua Intelligence | 1g | ≥95% | 84 | -20℃ | in stock | - |
| Kehua Intelligence | 5g | ≥95% | 384 | -20℃ | in stock | - |
| Kehua Intelligence | 25g | ≥95% | 1504 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (9Z,12Z)-octadeca-9,12-dienoate
4.2 InChI
InChI=1S/C45H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h11-12,14-15,26,35-36,38-42H,7-10,13,16-25,27-34H2,1-6H3/b12-11-,15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1
4.3 InChIKey
NAACPBBQTFFYQB-LJAITQKLSA-N
4.4 Canonical SMILES
CCCCCC=CCC=CCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C
4.5 Isomeric SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C
