1. Primary Information
| English name: | N-[(1S,2R,3E)-1-[[(4-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]-heptadecanamide |
| CAS No.: | 1354699-26-5 |
| Molecular formula: | C47H89NO13 |
| Molecular weight: | 876.2 g/mol |
| SMILES: | CCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)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 | 1mg | >99% | 5520 | -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,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyoctadec-4-en-2-yl]heptadecanamide
4.2 InChI
InChI=1S/C47H89NO13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-39(52)48-35(36(51)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-58-46-44(57)42(55)45(38(33-50)60-46)61-47-43(56)41(54)40(53)37(32-49)59-47/h28,30,35-38,40-47,49-51,53-57H,3-27,29,31-34H2,1-2H3,(H,48,52)/b30-28+/t35-,36+,37+,38+,40-,41-,42+,43+,44+,45+,46+,47-/m0/s1
4.3 InChIKey
RXEAEJDDQFAFLW-NMZPIEEZSA-N
4.4 Canonical SMILES
CCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O)C(C=CCCCCCCCCCCCCC)O
4.5 Isomeric SMILES
CCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O
