1. Primary Information
| English name: | 2,3-di(hexadecanoyloxy)propyl 6,8-bis[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]hexadecanoate |
| CAS No.: | 76491-11-7 |
| Molecular formula: | C63H118O18 |
| Molecular weight: | 1163.6 g/mol |
| SMILES: | CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC(CC(CCCCCCCC)OC1C(C(C(C(O1)CO)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)OC(=O)CCCCCCCCCCCCCCC |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 0.5mg | - | 6960 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
2,3-di(hexadecanoyloxy)propyl 6,8-bis[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]hexadecanoate
4.2 InChI
InChI=1S/C63H118O18/c1-4-7-10-13-16-18-20-22-24-26-28-31-34-40-53(66)75-46-50(77-55(68)42-35-32-29-27-25-23-21-19-17-14-11-8-5-2)47-76-54(67)41-37-36-39-49(79-63-61(74)59(72)57(70)52(45-65)81-63)43-48(38-33-30-15-12-9-6-3)78-62-60(73)58(71)56(69)51(44-64)80-62/h48-52,56-65,69-74H,4-47H2,1-3H3/t48?,49?,50?,51-,52-,56-,57-,58+,59+,60-,61-,62?,63?/m1/s1
4.3 InChIKey
YJFOJDCYYDBJHS-RFMHVUJESA-N
4.4 Canonical SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC(CC(CCCCCCCC)OC1C(C(C(C(O1)CO)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)OC(=O)CCCCCCCCCCCCCCC
4.5 Isomeric SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC(CC(CCCCCCCC)OC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC(=O)CCCCCCCCCCCCCCC
