1. Primary Information
| English name: | [30-[[3-Hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetradeca-4,8,12-trien-2-yl]amino]-30-oxotriaconta-12,15-dienyl] icosa-11,14-dienoate |
| CAS No.: | 9014-81-7 |
| Molecular formula: | C70H123NO10 |
| Molecular weight: | 1138.7 g/mol |
| SMILES: | CCCCCC=CCC=CCCCCCCCCCC(=O)OCCCCCCCCCCCC=CCC=CCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C=CCCC=CCCC=CC)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 | 10mg | - | 440 | -20℃ | in stock | - |
| Kehua Intelligence | 250mg | - | 3600 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[30-[[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetradeca-4,8,12-trien-2-yl]amino]-30-oxotriaconta-12,15-dienyl] icosa-11,14-dienoate
4.2 InChI
InChI=1S/C70H123NO10/c1-3-5-7-9-11-13-14-15-16-28-32-35-38-42-46-50-54-58-66(75)79-59-55-51-47-43-39-36-33-30-27-25-23-21-19-17-18-20-22-24-26-29-31-34-37-41-45-49-53-57-65(74)71-62(63(73)56-52-48-44-40-12-10-8-6-4-2)61-80-70-69(78)68(77)67(76)64(60-72)81-70/h4,6,11-13,15-18,21,23,40,52,56,62-64,67-70,72-73,76-78H,3,5,7-10,14,19-20,22,24-39,41-51,53-55,57-61H2,1-2H3,(H,71,74)
4.3 InChIKey
XZDRNDBKYKTHMT-UHFFFAOYSA-N
4.4 Canonical SMILES
CCCCCC=CCC=CCCCCCCCCCC(=O)OCCCCCCCCCCCC=CCC=CCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C=CCCC=CCCC=CC)O
4.5 Isomeric SMILES
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