| SpectraBase Spectrum ID |
AvLCt6PntK9 |
| Name |
(1S,2R,3R)-1-[(4-Methoxyphenoxy)methyl]-2-[(1E)-1-(trityloxymethyl)buta-1,3-dienyl]cyclopent-4-ene-1,3-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
560.256274254 u |
| Formula |
C37H36O5 |
| InChI |
InChI=1S/C37H36O5/c1-3-13-28(35-34(38)24-25-36(35,39)27-41-33-22-20-32(40-2)21-23-33)26-42-37(29-14-7-4-8-15-29,30-16-9-5-10-17-30)31-18-11-6-12-19-31/h3-25,34-35,38-39H,1,26-27H2,2H3/b28-13-/t34-,35-,36-/m1/s1 |
| InChIKey |
PZZCYMUIYUXACY-VPQCKPRPSA-N |
| Molecular Weight |
560.690 g/mol |
| SMILES |
C(OC\C([C@]1([C@@](C=C[C@]1(O)[H])(COC=1C=CC(=CC1)OC)O)[H])=C\C=C)(C=1C=CC=CC1)(C=1C=CC=CC1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.855186 |
![(1S,2R,3R)-1-[(4-methoxyphenoxy)methyl]-2-[(1E)-1-(trityloxymethyl)buta-1,3-dienyl]cyclopent-4-ene-1,3-diol](/api/spectrum/AvLCt6PntK9/structure.png?h=300&w=458 "(1S,2R,3R)-1-[(4-methoxyphenoxy)methyl]-2-[(1E)-1-(trityloxymethyl)buta-1,3-dienyl]cyclopent-4-ene-1,3-diol")
