| SpectraBase Spectrum ID |
4MWq4Pj9q64 |
| Name |
4-(3,6-Dihydroxy-2,4-xylyl-8-crown-5)pentanoic acid methyl ester |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H34O9 |
| InChI |
InChI=1S/C22H34O9/c1-26-21(24)5-3-2-4-18-19-16-31-13-11-29-9-7-27-6-8-28-10-12-30-15-17(22(19)25)14-20(18)23/h14,23,25H,2-13,15-16H2,1H3 |
| InChIKey |
DPGIIQKPCOLNBU-UHFFFAOYSA-N |
| Molecular Weight |
442.505 g/mol |
| SMILES |
Oc1c(c2c(c(c1)COCCOCCOCCOCCOC2)O)CCCCC(=O)OC |
| SPLASH |
splash10-000e-9000500000-638cf7e1a788b8e2519e |
| Source of Spectrum |
F-51-3545-11 |
| Synonyms |
Methyl 5-[19,21-dihydroxy-3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(21),17,19-trien-18-yl]pentanoate |
| Wiley ID |
791467 |
