| SpectraBase Compound ID | 9FvBhp4pc1o |
|---|---|
| InChI | InChI=1S/C21H30O4/c1-7-20(4)11-14(17(22)24-6)21(5)13-9-8-10-19(2,3)16(13)18(23)25-15(21)12-20/h7,14-15H,1,8-12H2,2-6H3/t14-,15-,20+,21-/m0/s1 |
| InChIKey | DARRIGAMNMSITP-YJPXFSGGSA-N |
| Mol Weight | 346.47 g/mol |
| Molecular Formula | C21H30O4 |
| Exact Mass | 346.214409 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IqOqtJnlgDZ |
|---|---|
| Name | Candida- - methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H30O4 |
| InChI | InChI=1S/C21H30O4/c1-7-20(4)11-14(17(22)24-6)21(5)13-9-8-10-19(2,3)16(13)18(23)25-15(21)12-20/h7,14-15H,1,8-12H2,2-6H3/t14-,15-,20+,21-/m0/s1 |
| InChIKey | DARRIGAMNMSITP-YJPXFSGGSA-N |
| Molecular Weight | 346.467 g/mol |
| SMILES | [C@]12(C3=C(C(C)(C)CCC3)C(O[C@]1(C[C@@](C=C)(C)C[C@]2(C(=O)OC)[H])[H])=O)C |
| SPLASH | splash10-0002-2309000000-73d56bc3031c736a35c0 |
| Source of Spectrum | G4-60-481-2 |
| Synonyms | (1R,3R,4aS,10bR)-3-ethenyl-3,7,7,10b-tetramethyl-6-oxo-2,4,4a,8,9,10-hexahydro-1H-benzo[c][1]benzopyran-1-carboxylic acid methyl ester Methyl (1R,3R,4aS,10bR)-3-ethenyl-3,7,7,10b-tetramethyl-6-oxo-2,4,4a,8,9,10-hexahydro-1H-benzo[c]chromene-1-carboxylate Methyl (1R,3R,4aS,10bR)-3,7,7,10b-tetramethyl-6-oxo-3-vinyl-2,4,4a,8,9,10-hexahydro-1H-benzo[c]chromene-1-carboxylate Methyl (1R,3R,4aS,10bR)-3-ethenyl-3,7,7,10b-tetramethyl-6-oxidanylidene-2,4,4a,8,9,10-hexahydro-1H-benzo[c]chromene-1-carboxylate |
| Wiley ID | 1606698 |