1. Primary Information
| English name: | N-TRicosanoyl ceramide trihexoside |
| CAS No.: | 536745-84-3 |
| Molecular formula: | C59H111NO18 |
| Molecular weight: | 1122.5 g/mol |
| SMILES: | CCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O)C(C=CCCCCCCCCCCCCC)O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 500ug | >98% | 11400 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
N-[(E,2S,3R)-1-[(2R,4S,5S)-5-[(2S,4S,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoctadec-4-en-2-yl]tricosanamide
4.2 InChI
InChI=1S/C59H111NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-47(65)60-42(43(64)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2)41-73-57-53(71)50(68)55(45(39-62)75-57)78-59-54(72)51(69)56(46(40-63)76-59)77-58-52(70)49(67)48(66)44(38-61)74-58/h34,36,42-46,48-59,61-64,66-72H,3-33,35,37-41H2,1-2H3,(H,60,65)/b36-34+/t42-,43+,44?,45?,46?,48-,49?,50-,51-,52-,53?,54?,55+,56-,57+,58+,59-/m0/s1
4.3 InChIKey
KNXYBODBPUDJGN-SLJKBHQZSA-N
4.4 Canonical SMILES
CCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O)C(C=CCCCCCCCCCCCCC)O
4.5 Isomeric SMILES
CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@@H]([C@@H](C(O1)CO)O[C@H]2C([C@@H]([C@H](C(O2)CO)O[C@@H]3[C@H](C([C@H](C(O3)CO)O)O)O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O
