| SpectraBase Compound ID | 6NeOUQP492u |
|---|---|
| InChI | InChI=1S/C20H30O3/c1-13(2)19-16-8-7-15(4)18(23-22)9-6-14(3)10-11-20(16,5)12-17(19)21/h7,10,16,18,22H,6,8-9,11-12H2,1-5H3/b14-10+,15-7+/t16-,18-,20-/m1/s1 |
| InChIKey | XIWBBVNJGMKOMD-CBDHSLHVSA-N |
| Mol Weight | 318.46 g/mol |
| Molecular Formula | C20H30O3 |
| Exact Mass | 318.219495 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4OegjhqLJ6E |
|---|---|
| Name | Dolabellanone 6 |
| Appearance | Colorless oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H30O3 |
| InChI | InChI=1S/C20H30O3/c1-13(2)19-16-8-7-15(4)18(23-22)9-6-14(3)10-11-20(16,5)12-17(19)21/h7,10,16,18,22H,6,8-9,11-12H2,1-5H3/b14-10+,15-7+/t16-,18-,20-/m1/s1 |
| InChIKey | XIWBBVNJGMKOMD-CBDHSLHVSA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np100074r |
| Molecular Weight | 318.457 g/mol |
| Optical Rotation | [a]D25 = -29.5 (c = 1.0, CHCl3) |
| Reported Formula | C20H30O3 |
| SMILES | OO[C@@]1(CC\C(=C\C[C@]2([C@](C\C=C\1C)(C(C(C2)=O)=C(C)C)[H])C)C)[H] |
| SPLASH | splash10-0019-1923000000-31c4818569ee75225e4a |
| Source of Spectrum | G4-73-932-6 |
| Wiley ID | 1848970 |