| SpectraBase Spectrum ID |
9h891VXSkH1 |
| Name |
(2R,3R,4E)-1,2-o-Isopropylidene-3-o-benzoyloctadec-4-ene-1,2,3-triol |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
444.323959893 u |
| Formula |
C28H44O4 |
| InChI |
InChI=1S/C28H44O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(26-23-30-28(2,3)32-26)31-27(29)24-20-17-16-18-21-24/h16-22,25-26H,4-15,23H2,1-3H3/b22-19+/t25-,26-/m1/s1 |
| InChIKey |
BKZZVLMXHBRWLR-HRCWWJADSA-N |
| Molecular Weight |
444.656 g/mol |
| SMILES |
C1(O[C@](CO1)([C@](OC(=O)C=1C=CC=CC1)(\C=C\CCCCCCCCCCCCC)[H])[H])(C)C |
