| SpectraBase Spectrum ID |
45oKjes6Dqe |
| Name |
(R,E)-N-((4R,5S)-2,2-Dimethyl-4-pentadecyl-1,3-dioxan-5-yl)-2-hydroxyoctadec-3-enamide |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C39H75NO4 |
| InChI |
InChI=1S/C39H75NO4/c1-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-36(41)38(42)40-35-34-43-39(3,4)44-37(35)33-31-29-27-25-23-20-18-16-14-12-10-8-6-2/h30,32,35-37,41H,5-29,31,33-34H2,1-4H3,(H,40,42)/b32-30+/t35-,36+,37+/m0/s1 |
| InChIKey |
SAJNUDVCQKOZLL-PLHXSOCRSA-N |
| Instrument Name |
Finnigan MAT SSQ 7000 or Thermo Scientific ISQ or Thermo Scientific Qexactive GC Orbitrap |
| Ionization Type |
EI positive ion |
| Literature Reference DOI |
10.1002/adsc.202200540 |
| Molecular Weight |
622.032 g/mol |
| Optical Rotation |
[a]D20 = +10.1 (c = 1.0, CHCl3) |
| Reported Formula |
C39H75NO4 |
| SMILES |
N(C([C@@](\C=C\CCCCCCCCCCCCCC)(O)[H])=O)[C@@]1([C@](OC(OC1)(C)C)(CCCCCCCCCCCCCCC)[H])[H] |
| SPLASH |
splash10-0zfu-9031000000-39f32e64b9a90944ed1c |
| Source of Spectrum |
ASC-364-SM10-19 |
| Wiley ID |
1875218 |
