| SpectraBase Compound ID | 5liW0wDCotr |
|---|---|
| InChI | InChI=1S/C20H30O3/c1-13(2)16-12-19(21)20(5)11-10-14(3)6-9-18(23-22)15(4)7-8-17(16)20/h7,10,12-13,17-18,22H,6,8-9,11H2,1-5H3/b14-10-,15-7+/t17-,18-,20+/m1/s1 |
| InChIKey | KAXUBHIBOUNYIH-ICCBXIMKSA-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 | HRwle61p5xW |
|---|---|
| Name | Dolabellanone 9 |
| Appearance | Colorless oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H30O3 |
| InChI | InChI=1S/C20H30O3/c1-13(2)16-12-19(21)20(5)11-10-14(3)6-9-18(23-22)15(4)7-8-17(16)20/h7,10,12-13,17-18,22H,6,8-9,11H2,1-5H3/b14-10-,15-7+/t17-,18-,20+/m1/s1 |
| InChIKey | KAXUBHIBOUNYIH-ICCBXIMKSA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np100074r |
| Molecular Weight | 318.457 g/mol |
| Optical Rotation | [a]D25 = +43.1 (c = 1.0, CHCl3) |
| Reported Formula | C20H30O3 |
| SMILES | OO[C@]1(\C(=C\C[C@]2([C@](C\C=C/(CC1)C)(C(C=C2C(C)C)=O)C)[H])C)[H] |
| SPLASH | splash10-001r-9300000000-c9e8bee3865e5aecf44a |
| Source of Spectrum | G4-73-932-9 |
| Wiley ID | 1848973 |