| SpectraBase Compound ID | EO7Oydwt66O |
|---|---|
| InChI | InChI=1S/C17H28O3/c1-15(18)10-7-13-12(15)6-4-5-9-17(3)14(20-17)8-11-16(13,2)19/h4,6,12-14,18-19H,5,7-11H2,1-3H3/b6-4+/t12-,13-,14-,15-,16-,17-/m1/s1 |
| InChIKey | VWCSZBNTUJEAFU-LFMVQRTISA-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 | F1D8N0EELy9 |
|---|---|
| Name | Chabrolol B |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H28O3 |
| InChI | InChI=1S/C17H28O3/c1-15(18)10-7-13-12(15)6-4-5-9-17(3)14(20-17)8-11-16(13,2)19/h4,6,12-14,18-19H,5,7-11H2,1-3H3/b6-4+/t12-,13-,14-,15-,16-,17-/m1/s1 |
| InChIKey | VWCSZBNTUJEAFU-LFMVQRTISA-N |
| Molecular Weight | 280.408 g/mol |
| SMILES | O[C@]1([C@]2([C@]([C@@](CC2)(O)C)(\C=C\CC[C@]2(O[C@@]2(CC1)[H])C)[H])[H])C |
| SPLASH | splash10-052k-6900000000-0cae7a4eb63656dc490f |
| Source of Spectrum | AT-42-4684-5 |
| Synonyms | (1aR,4R,4aR,7R,7aR,11aR)-4,7,11a-trimethyl-1a,2,3,4,4a,5,6,7,7a,10,11,11a-dodecahydrocyclopenta[6,7]cycloundeca[1,2-b]oxirene-4,7-diol (E)-(1aR,4R,4aR,7R,7aR,11aR)-4,7,11a-Trimethyl-1a,2,3,4,4a,5,6,7,7a,10,11,11a-dodecahydro-1-oxa-cyclopenta[a]cyclopropa[f]cycloundecene-4,7-diol |
| Wiley ID | 855159 |