| SpectraBase Spectrum ID |
D0ifb3wOET1 |
| Name |
(8R,14R)-2,5,6-Trioxo-8-(benzyloxy)-14-penyl-1-oxacyclotetradecane |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
416.256274254 u |
| Formula |
C25H36O5 |
| InChI |
InChI=1S/C25H36O5/c1-2-3-6-13-21-14-9-5-10-15-22(29-19-20-11-7-4-8-12-20)18-24(27)23(26)16-17-25(28)30-21/h4,7-8,11-12,21-22H,2-3,5-6,9-10,13-19H2,1H3/t21-,22?/m1/s1 |
| InChIKey |
BUVSPSZXHOQDEB-ZMFCMNQTSA-N |
| Molecular Weight |
416.558 g/mol |
| SMILES |
C1(C(=O)CCC(O[C@@](CCCCC)([H])CCCCCC(OCC2=CC=CC=C2)C1)=O)=O |
