| SpectraBase Compound ID | FUREQ2I0U9g |
|---|---|
| InChI | InChI=1S/C22H34O3/c1-14(23)25-18-12-21(4,19-13-24-19)11-15-8-9-16-17(22(15,18)5)7-6-10-20(16,2)3/h9,15,17-19H,6-8,10-13H2,1-5H3/t15-,17-,18+,19-,21+,22-/m0/s1 |
| InChIKey | XAOBNTHNXLLKDN-SGUUAIRVSA-N |
| Mol Weight | 346.5 g/mol |
| Molecular Formula | C22H34O3 |
| Exact Mass | 346.250795 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5GtqQryvUFy |
|---|---|
| Name | (15R)-11.alpha.-Acetoxy-15,16-epoxy-ros-5-ene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.250794952 u |
| Formula | C22H34O3 |
| InChI | InChI=1S/C22H34O3/c1-14(23)25-18-12-21(4,19-13-24-19)11-15-8-9-16-17(22(15,18)5)7-6-10-20(16,2)3/h9,15,17-19H,6-8,10-13H2,1-5H3/t15-,17-,18+,19-,21+,22-/m0/s1 |
| InChIKey | XAOBNTHNXLLKDN-SGUUAIRVSA-N |
| Molecular Weight | 346.511 g/mol |
| SMILES | [C@]12([C@@]3(C(C(C)(C)CCC3)=CC[C@]1(C[C@]([C@]1(OC1)[H])(C)C[C@]2(OC(=O)C)[H])[H])[H])C |