![7-[2-(4,4-Dimethyl-5-ethoxy-3alpha-hydroxy-trans-1-pentenyl)-5-oxocyclopentyl]-trans-2-heptenoic acid, methyl ester, acetate](/api/spectrum/RHMst6PcIm/structure.png?h=300&w=458 "7-[2-(4,4-Dimethyl-5-ethoxy-3alpha-hydroxy-trans-1-pentenyl)-5-oxocyclopentyl]-trans-2-heptenoic acid, methyl ester, acetate")
| SpectraBase Compound ID | Hze9tIfDEt6 |
|---|---|
| InChI | InChI=1S/C24H38O6/c1-6-29-17-24(3,4)22(30-18(2)25)16-14-19-13-15-21(26)20(19)11-9-7-8-10-12-23(27)28-5/h10,12,14,16,19-20,22H,6-9,11,13,15,17H2,1-5H3/b12-10+,16-14+/t19-,20-,22-/m1/s1 |
| InChIKey | GWUWGSMTZCDNHN-VYBMPJMYSA-N |
| Mol Weight | 422.6 g/mol |
| Molecular Formula | C24H38O6 |
| Exact Mass | 422.266839 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | RHMst6PcIm |
|---|---|
| Name | 7-[2-(4,4-Dimethyl-5-ethoxy-3alpha-hydroxy-trans-1-pentenyl)-5-oxocyclopentyl]-trans-2-heptenoic acid, methyl ester, acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 422.266838938 u |
| Formula | C24H38O6 |
| InChI | InChI=1S/C24H38O6/c1-6-29-17-24(3,4)22(30-18(2)25)16-14-19-13-15-21(26)20(19)11-9-7-8-10-12-23(27)28-5/h10,12,14,16,19-20,22H,6-9,11,13,15,17H2,1-5H3/b12-10+,16-14+/t19-,20-,22-/m1/s1 |
| InChIKey | GWUWGSMTZCDNHN-VYBMPJMYSA-N |
| Molecular Weight | 422.562 g/mol |
| SMILES | C1CC([C@@]([C@]1(\C=C\[C@](C(COCC)(C)C)(OC(C)=O)[H])[H])(CCCC\C=C\C(OC)=O)[H])=O |
| Spectrum/Structure Validation Score (Raman) | 0.889127 |