| SpectraBase Spectrum ID |
85Y1yysw7eO |
| Name |
Prost-13-en-1-oic acid, 11,18-dihydroxy-9-oxo-, methyl ester, (11.alpha.,13E,18S)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.256274254 u |
| Formula |
C21H36O5 |
| InChI |
InChI=1S/C21H36O5/c1-3-16(22)11-7-6-9-13-18-17(19(23)15-20(18)24)12-8-4-5-10-14-21(25)26-2/h9,13,16-18,20,22,24H,3-8,10-12,14-15H2,1-2H3/b13-9+/t16-,17+,18+,20+/m0/s1 |
| InChIKey |
IVQAJPUUIFQBGW-KSAMPWEPSA-N |
| Molecular Weight |
368.514 g/mol |
| SMILES |
C1(C[C@@](O)([C@@]([C@]1(CCCCCCC(=O)OC)[H])(\C=C\CCC[C@@](O)(CC)[H])[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.803109 |
