| SpectraBase Compound ID | 5xuXLSqEFL5 |
|---|---|
| InChI | InChI=1S/C22H34O5/c1-8-20(5)11-14(24)17-21(6,27-20)12-15(26-13(2)23)18-19(3,4)10-9-16(25)22(17,18)7/h8,15-18,25H,1,9-12H2,2-7H3/t15-,16+,17+,18+,20+,21-,22-/m1/s1 |
| InChIKey | WGDVDWPPNILGMG-GJLUKNDPSA-N |
| Mol Weight | 378.5 g/mol |
| Molecular Formula | C22H34O5 |
| Exact Mass | 378.240624 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 31cTnDO4rx8 |
|---|---|
| Name | 6.beta.-Acetoxy-8.alpha.,13R*-epoxy-11-oxo-14-labden-1.alpha.-ol |
| Appearance | Colorless thick oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H34O5 |
| InChI | InChI=1S/C22H34O5/c1-8-20(5)11-14(24)17-21(6,27-20)12-15(26-13(2)23)18-19(3,4)10-9-16(25)22(17,18)7/h8,15-18,25H,1,9-12H2,2-7H3/t15-,16+,17+,18+,20+,21-,22-/m1/s1 |
| InChIKey | WGDVDWPPNILGMG-GJLUKNDPSA-N |
| Instrument Name | Hewlett-Packard 5973 |
| Ionization Type | EI Positive ion |
| Literature Reference DOI | 10.1021/np020203w |
| Molecular Weight | 378.509 g/mol |
| Optical Rotation | [a]D22 = -66.3 (c = 0.205, CHCl3) |
| SMILES | O[C@]1(CCC([C@]2([C@]1([C@@]1([C@@](C[C@]2(OC(C)=O)[H])(O[C@](CC1=O)(C=C)C)C)[H])C)[H])(C)C)[H] |
| SPLASH | splash10-05mn-9510000000-622f26e74fe67cbb795b |
| Source of Spectrum | G4-65-1389-2 |
| Synonyms | Plectrornatin B |
| Wiley ID | 1883416 |