| SpectraBase Compound ID | 3naKPThjN1k |
|---|---|
| InChI | InChI=1S/C22H34O3/c1-13(23)25-12-21(4)16-5-8-22-10-15-14(20(15,3)11-22)9-17(22)19(16,2)7-6-18(21)24/h14-18,24H,5-12H2,1-4H3/t14-,15+,16+,17+,18+,19-,20-,21+,22-/m1/s1 |
| InChIKey | ZPBBRJYUYLDTJN-HNXJODKKSA-N |
| Mol Weight | 346.5 g/mol |
| Molecular Formula | C22H34O3 |
| Exact Mass | 346.250795 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8TXVtVhZdaG |
|---|---|
| Name | ent-18-.alpha.-Acetoxy-3.beta.-hydroxytrachylobane |
| Appearance | White solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H34O3 |
| InChI | InChI=1S/C22H34O3/c1-13(23)25-12-21(4)16-5-8-22-10-15-14(20(15,3)11-22)9-17(22)19(16,2)7-6-18(21)24/h14-18,24H,5-12H2,1-4H3/t14-,15+,16+,17+,18+,19-,20-,21+,22-/m1/s1 |
| InChIKey | ZPBBRJYUYLDTJN-HNXJODKKSA-N |
| Instrument Name | Hewlett-Packard G1800A |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np900806j |
| Molecular Weight | 346.511 g/mol |
| Optical Rotation | [a]D20 = -15.5 (c = 0.39, CHCl3) |
| Reported Formula | C22H34O3 |
| SMILES | O[C@]1(CC[C@@]2([C@@]([C@@]1(COC(C)=O)C)(CC[C@@]13[C@]2(C[C@]2([C@](C3)(C)[C@]2(C1)[H])[H])[H])[H])C)[H] |
| SPLASH | splash10-0a4l-7910000000-600f9b4749871da75b8b |
| Source of Spectrum | G4-73-662-5 |
| Wiley ID | 1872290 |