| SpectraBase Spectrum ID |
LwvFqdX95Uj |
| Name |
(S)-3-{(8R,13S)-8-Hydroxy-13-methoxymethoxy-14-[2-((R)-2-methoxymethoxy-dodecyloxy)-ethoxy]-tetradec-10-ynyl}-5-methyl-5H-furan-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
654.470683696 u |
| Formula |
C37H66O9 |
| InChI |
InChI=1S/C37H66O9/c1-5-6-7-8-9-10-14-17-23-35(44-30-40-3)28-42-25-26-43-29-36(45-31-41-4)24-19-18-22-34(38)21-16-13-11-12-15-20-33-27-32(2)46-37(33)39/h27,32,34-36,38H,5-17,20-26,28-31H2,1-4H3/t32-,34+,35+,36-/m0/s1 |
| InChIKey |
FTDMAVFFLWAQDF-YPSOBTFPSA-N |
| Molecular Weight |
654.926 g/mol |
| SMILES |
C1(C(=C[C@@](O1)(C)[H])CCCCCCC[C@](CC#CC[C@](OCOC)(COCCOC[C@](OCOC)(CCCCCCCCCC)[H])[H])(O)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.819052 |
![(S)-3-{(8R,13S)-8-Hydroxy-13-methoxymethoxy-14-[2-((R)-2-methoxymethoxy-dodecyloxy)-ethoxy]-tetradec-10-ynyl}-5-methyl-5H-furan-2-one](/api/spectrum/LwvFqdX95Uj/structure.png?h=300&w=458 "(S)-3-{(8R,13S)-8-Hydroxy-13-methoxymethoxy-14-[2-((R)-2-methoxymethoxy-dodecyloxy)-ethoxy]-tetradec-10-ynyl}-5-methyl-5H-furan-2-one")
