1. Primary Information
| English name: | [18-[[3-Hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentadeca-4,8,12-trien-2-yl]amino]-18-oxooctadeca-6,8-dienyl] octadeca-9,12-dienoate |
| CAS No.: | 9075-68-7 |
| Molecular formula: | C57H97NO10 |
| Molecular weight: | 956.4 g/mol |
| SMILES: | CCCCCC=CCC=CCCCCCCCC(=O)OCCCCCC=CC=CCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C=CCCC=CCCC=CCC)O |
| Structural class: | |
| Other identifiers: |
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2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 500mg | BR，1u/mg | 520 | 2-8℃ | in stock | - |
| Kehua Intelligence | 0.5ml | 1000ASPU/ml | 144 | 2-8℃ | in stock | - |
| Kehua Intelligence | 2ml | 1000ASPU/ml | 360 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[18-[[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentadeca-4,8,12-trien-2-yl]amino]-18-oxooctadeca-6,8-dienyl] octadeca-9,12-dienoate
4.2 InChI
InChI=1S/C57H97NO10/c1-3-5-7-9-11-13-15-16-18-22-25-29-33-37-41-45-53(62)66-46-42-38-34-30-26-23-20-17-19-21-24-28-32-36-40-44-52(61)58-49(48-67-57-56(65)55(64)54(63)51(47-59)68-57)50(60)43-39-35-31-27-14-12-10-8-6-4-2/h6,8,11,13-14,16-18,20,23,26-27,39,43,49-51,54-57,59-60,63-65H,3-5,7,9-10,12,15,19,21-22,24-25,28-38,40-42,44-48H2,1-2H3,(H,58,61)
4.3 InChIKey
YIWADXQWNRTSFS-UHFFFAOYSA-N
4.4 Canonical SMILES
CCCCCC=CCC=CCCCCCCCC(=O)OCCCCCC=CC=CCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C=CCCC=CCCC=CCC)O
4.5 Isomeric SMILES
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