| SpectraBase Compound ID | 4zU7bLh6ctw |
|---|---|
| InChI | InChI=1S/C21H30O3/c1-15(13-19(22)23-6)9-7-10-16(2)17-14-18-20(3,4)11-8-12-21(18,5)24-17/h7,9-10,13-14,17H,8,11-12H2,1-6H3/b9-7+,15-13+,16-10+ |
| InChIKey | KSJHZRVANAEYPS-RVOCBSSBSA-N |
| Mol Weight | 330.47 g/mol |
| Molecular Formula | C21H30O3 |
| Exact Mass | 330.219495 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5VtdpxCFc9X |
|---|---|
| Name | Retinoic acid, 5,8-epoxy-5,8-dihydro-, methyl ester |
| CAS Registry Number | 50876-25-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H30O3 |
| InChI | InChI=1S/C21H30O3/c1-15(13-19(22)23-6)9-7-10-16(2)17-14-18-20(3,4)11-8-12-21(18,5)24-17/h7,9-10,13-14,17H,8,11-12H2,1-6H3/b9-7+,15-13+,16-10+ |
| InChIKey | KSJHZRVANAEYPS-RVOCBSSBSA-N |
| Molecular Weight | 330.468 g/mol |
| SMILES | COC(=O)\C=C/(C)\C=C\C=C/(C)C1OC2(C)CCCC(C)(C)C2=C1 |
| SPLASH | splash10-008d-4922000000-341d0e4a8e227fe2f596 |
| Source of Spectrum | W6-29584-0-0 |
| Synonyms | Methyl (2E,4E,6E)-7-(4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-2-yl)-3-methyl-2,4,6-octatrienoate (2E,4E,6E)-7-(4,4,7a-trimethyl-2,5,6,7-tetrahydrobenzofuran-2-yl)-3-methyl-octa-2,4,6-trienoic acid methyl ester Methyl (2E,4E,6E)-7-(4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl)-3-methyl-octa-2,4,6-trienoate Methyl (2E,4E,6E)-7-(4,4,7a-trimethyl-2,5,6,7-tetrahydrobenzofuran-2-yl)-3-methyl-octa-2,4,6-trienoate Methyl-5,8-monoepoxyretinoate (2E,4E,6E)-7-(4,4,7a-trimethyl-2,5,6,7-tetrahydrobenzofuran-2-yl)-3-methylocta-2,4,6-trienoic acid methyl ester |
| Wiley ID | 49389 |