| SpectraBase Compound ID | 8SGu5axMDL9 |
|---|---|
| InChI | InChI=1S/C17H28O3/c1-15(18)8-5-4-6-11-12(7-9-16(11,2)19)17(3,20)14-10-13(14)15/h4,6,11-14,18-20H,5,7-10H2,1-3H3/b6-4+/t11-,12-,13-,14-,15-,16-,17-/m1/s1 |
| InChIKey | XECZYWPBCYXBMY-ABDXGXQTSA-N |
| Mol Weight | 280.41 g/mol |
| Molecular Formula | C17H28O3 |
| Exact Mass | 280.203845 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | L9dFsgPSnCX |
|---|---|
| Name | Chabrolol C |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H28O3 |
| InChI | InChI=1S/C17H28O3/c1-15(18)8-5-4-6-11-12(7-9-16(11,2)19)17(3,20)14-10-13(14)15/h4,6,11-14,18-20H,5,7-10H2,1-3H3/b6-4+/t11-,12-,13-,14-,15-,16-,17-/m1/s1 |
| InChIKey | XECZYWPBCYXBMY-ABDXGXQTSA-N |
| Molecular Weight | 280.408 g/mol |
| SMILES | O[C@]1([C@]2([C@]([C@@]([C@]3([C@@](\C=C\CC1)([C@@](CC3)(O)C)[H])[H])(O)C)(C2)[H])[H])C |
| SPLASH | splash10-00lr-0910000000-e32aadc57ef37ab0f7cf |
| Source of Spectrum | AT-42-4684-6 |
| Synonyms | (1aR,2R,6aR,7R,9aR,10S,10aR)-2,7,10-trimethyl-1,1a,2,3,4,6a,7,8,9,9a,10,10a-dodecahydrocyclopenta[a]cyclopropa[d]cyclodecene-2,7,10-triol (E)-(1R,2S,3R,5R,6R,11R,12R)-2,6,12-Trimethyl-tricyclo[9.3.0.0*3,5*]tetradec-9-ene-2,6,12-triol |
| Wiley ID | 855158 |