| SpectraBase Compound ID | 5miYSh0BAPJ |
|---|---|
| InChI | InChI=1S/C20H28O3/c1-12-6-7-16-17(20(16,4)5)11-14(3)19(23)18(22)10-13(2)9-15(21)8-12/h8,10-11,16-18,22H,6-7,9H2,1-5H3/b12-8-,13-10+,14-11+/t16-,17+,18+/m1/s1 |
| InChIKey | JIIKYOGYPVGXIF-KGGAYIFYSA-N |
| Mol Weight | 316.44 g/mol |
| Molecular Formula | C20H28O3 |
| Exact Mass | 316.203845 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IIKUwpre9O |
|---|---|
| Name | 14-Dehydro-Agrostistachin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H28O3 |
| InChI | InChI=1S/C20H28O3/c1-12-6-7-16-17(20(16,4)5)11-14(3)19(23)18(22)10-13(2)9-15(21)8-12/h8,10-11,16-18,22H,6-7,9H2,1-5H3/b12-8-,13-10+,14-11+/t16-,17+,18+/m1/s1 |
| InChIKey | JIIKYOGYPVGXIF-KGGAYIFYSA-N |
| Molecular Weight | 316.441 g/mol |
| SMILES | O[C@]1(\C=C\(CC(\C=C/(CC[C@@]2([C@@](C2(C)C)(\C=C\(C1=O)C)[H])[H])C)=O)C)[H] |
| SPLASH | splash10-052b-8910000000-96a2f5a0ba3369e7a855 |
| Source of Spectrum | X2-51-115-2 |
| Synonyms | (1R,4Z,8E,10S,12E,14S)-10-hydroxy-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-4,8,12-triene-6,11-dione (1R,4Z,8E,10S,12E,14S)-10-hydroxy-4,8,12,15,15-pentamethyl-bicyclo[12.1.0]pentadeca-4,8,12-triene-6,11-dione (1R,4Z,8E,10S,12E,14S)-4,8,12,15,15-pentamethyl-10-oxidanyl-bicyclo[12.1.0]pentadeca-4,8,12-triene-6,11-dione |
| Wiley ID | 1602525 |