| SpectraBase Compound ID | GFvumpiHAqb |
|---|---|
| InChI | InChI=1S/C21H34O3/c1-13-7-8-15-18(17-14(13)9-12-20(17,4)23)21(15,5)16(24-6)10-11-19(2,3)22/h10-11,14-18,22-23H,1,7-9,12H2,2-6H3/b11-10+/t14-,15+,16?,17+,18+,20-,21+/m0/s1 |
| InChIKey | UEGIIVCBJXWWFP-XKTIXDMUSA-N |
| Mol Weight | 334.5 g/mol |
| Molecular Formula | C21H34O3 |
| Exact Mass | 334.250795 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Cv8xRS7jX63 |
|---|---|
| Name | Boscarterol D |
| Appearance | Colorless oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H34O3 |
| InChI | InChI=1S/C21H34O3/c1-13-7-8-15-18(17-14(13)9-12-20(17,4)23)21(15,5)16(24-6)10-11-19(2,3)22/h10-11,14-18,22-23H,1,7-9,12H2,2-6H3/b11-10+/t14-,15+,16?,17+,18+,20-,21+/m0/s1 |
| InChIKey | UEGIIVCBJXWWFP-XKTIXDMUSA-N |
| Instrument Name | Micromass Autospec-Ultima ETOF |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np400526b |
| Molecular Weight | 334.500 g/mol |
| Optical Rotation | [a]D20 = -7.7 (c = 0.2, CHCl3) |
| Reported Formula | C21H33O2 |
| SMILES | O[C@@]1([C@]2([C@@]3([C@@](C(\C=C\C(C)(C)O)OC)([C@@]3(CCC([C@@]2(CC1)[H])=C)[H])C)[H])[H])C |
| SPLASH | splash10-0006-6910000000-e56226ba2e506e836334 |
| Source of Spectrum | G4-76-SM32-4 |
| Wiley ID | 1865657 |