| SpectraBase Compound ID | FrjrzSPHSyZ |
|---|---|
| InChI | InChI=1S/C21H30O6/c1-13(6-5-9-20(2,3)27-24)10-14-12-21(4)18(25-14)11-15-16(22)7-8-17(23)19(15)26-21/h5,9-10,14,17-18,23-24H,6-8,11-12H2,1-4H3/b9-5+,13-10+/t14-,17-,18+,21+/m0/s1 |
| InChIKey | RIJUSTJSMDNKKJ-VHAAVVDMSA-N |
| Mol Weight | 378.47 g/mol |
| Molecular Formula | C21H30O6 |
| Exact Mass | 378.204239 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HocmlkQIJ8x |
|---|---|
| Name | Tricycloalterfurene B |
| Appearance | Colorless oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H30O6 |
| InChI | InChI=1S/C21H30O6/c1-13(6-5-9-20(2,3)27-24)10-14-12-21(4)18(25-14)11-15-16(22)7-8-17(23)19(15)26-21/h5,9-10,14,17-18,23-24H,6-8,11-12H2,1-4H3/b9-5+,13-10+/t14-,17-,18+,21+/m0/s1 |
| InChIKey | RIJUSTJSMDNKKJ-VHAAVVDMSA-N |
| Instrument Name | Autospec Premier P776 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/acs.jnatprod.7b00478 |
| Molecular Weight | 378.465 g/mol |
| Optical Rotation | [a]D22 = +120 (c = 0.02, MeOH) |
| Reported Formula | C21H30O6 |
| SMILES | O[C@]1(CCC(C2=C1O[C@]1([C@](O[C@@](\C=C\(C\C=C\C(OO)(C)C)C)(C1)[H])(C2)[H])C)=O)[H] |
| SPLASH | splash10-005i-3910000000-d755d44bbeee36c09678 |
| Source of Spectrum | G4-80-2528-3 |
| Wiley ID | 1867632 |