| SpectraBase Compound ID | 6uSLeCyUNRI |
|---|---|
| InChI | InChI=1S/C17H28O3/c1-10(2)13-8-14-11(3)15(19)6-7-17(14,5)16(9-13)20-12(4)18/h11,13-16,19H,1,6-9H2,2-5H3/t11-,13-,14+,15?,16-,17-/m0/s1 |
| InChIKey | RHNMYWLRRIAOGI-BMZFIVBBSA-N |
| Mol Weight | 280.41 g/mol |
| Molecular Formula | C17H28O3 |
| Exact Mass | 280.203845 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IZ4UtpC92Hm |
|---|---|
| Name | 3-Hydroxy-9-.beta.-acetoxy-11(12)-en-7-.alpha.H-eudesmane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.203844759 u |
| Formula | C17H28O3 |
| InChI | InChI=1S/C17H28O3/c1-10(2)13-8-14-11(3)15(19)6-7-17(14,5)16(9-13)20-12(4)18/h11,13-16,19H,1,6-9H2,2-5H3/t11-,13-,14+,15?,16-,17-/m0/s1 |
| InChIKey | RHNMYWLRRIAOGI-BMZFIVBBSA-N |
| SMILES | [C@]12([C@](C[C@@](C[C@@]2(OC(=O)C)[H])(C(=C)C)[H])([C@](C)(C(CC1)O)[H])[H])C |