| SpectraBase Compound ID | 5zMCYqgrPVX |
|---|---|
| InChI | InChI=1S/C19H30O5/c1-11-7-8-16(23-12(2)20)19(6,22)17(24-13(3)21)9-15-14(11)10-18(15,4)5/h14-17,22H,1,7-10H2,2-6H3/t14-,15-,16-,17+,19-/m1/s1 |
| InChIKey | GCWOSVDDCQPPBW-ZQOJQMTGSA-N |
| Mol Weight | 338.44 g/mol |
| Molecular Formula | C19H30O5 |
| Exact Mass | 338.209324 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9X0vU6Us32k |
|---|---|
| Name | 7.alpha.(S),9.alpha.(R)-Diacetoxy-8.alpha.(R)-hydroxy-1(12)-caryophyllene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H30O5 |
| InChI | InChI=1S/C19H30O5/c1-11-7-8-16(23-12(2)20)19(6,22)17(24-13(3)21)9-15-14(11)10-18(15,4)5/h14-17,22H,1,7-10H2,2-6H3/t14-,15-,16-,17+,19-/m1/s1 |
| InChIKey | GCWOSVDDCQPPBW-ZQOJQMTGSA-N |
| Molecular Weight | 338.444 g/mol |
| SMILES | O[C@]1([C@](C[C@@]2([C@](C(CC[C@]1(OC(=O)C)[H])=C)([H])CC2(C)C)[H])(OC(=O)C)[H])C |
| SPLASH | splash10-0hr0-0790000000-397b6800177768d90a96 |
| Source of Spectrum | E1-42-946-4 |
| Synonyms | Acetic acid [(1R,3S,4R,5R,9S)-3-acetyloxy-4-hydroxy-4,11,11-trimethyl-8-methylene-5-bicyclo[7.2.0]undecanyl] ester [(1R,3S,4R,5R,9S)-3-acetyloxy-4-hydroxy-4,11,11-trimethyl-8-methylidene-5-bicyclo[7.2.0]undecanyl] acetate [(1R,3S,4R,5R,9S)-3-acetoxy-4-hydroxy-4,11,11-trimethyl-8-methylene-5-bicyclo[7.2.0]undecanyl] acetate [(1R,3S,4R,5R,9S)-3-acetyloxy-4,11,11-trimethyl-8-methylidene-4-oxidanyl-5-bicyclo[7.2.0]undecanyl] ethanoate |
| Wiley ID | 1552607 |