| SpectraBase Spectrum ID |
2tjXdJqBGpM |
| Name |
(2S,3R,4E,8E,2'R)-1-O-(beta-D-glucopyranosyl)-N-(2-hydroxyoctadecanoyl)-4,8-sphingadienine |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C42H79NO9 |
| InChI |
InChI=1S/C42H79NO9/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(46)41(50)43-34(33-51-42-40(49)39(48)38(47)37(32-44)52-42)35(45)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h20,22,28,30,34-40,42,44-49H,3-19,21,23-27,29,31-33H2,1-2H3,(H,43,50)/b22-20+,30-28+/t34-,35+,36+,37+,38+,39-,40+,42+/m0/s1 |
| InChIKey |
BLFKVICPDXPVLY-IWNRCQDLSA-N |
| Molecular Weight |
742.092 g/mol |
| SMILES |
O[C@@]([C@](CO[C@@]1(O[C@@]([C@]([C@@]([C@]1(O)[H])(O)[H])(O)[H])(CO)[H])[H])(NC([C@@](CCCCCCCCCCCCCCCC)(O)[H])=O)[H])(\C=C\CC\C=C\CCCCCCCCC)[H] |
| SPLASH |
splash10-0a4i-9000000000-d6b264d20358ab11cf69 |
| Source of Spectrum |
QA-50-1106-2 |
| Synonyms |
(R)-2-hydroxy-N-((2S,3R,4E,8E)-3-hydroxy-1-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)octadeca-4,8-dien-2-yl)octadecanamide |
| Wiley ID |
1795819 |
