| SpectraBase Compound ID | K01LEiOZH0D |
|---|---|
| InChI | InChI=1S/C21H32O6/c1-12(5-8-17(23)20(2,3)25)9-13-11-21(4)18(26-13)10-14-16(27-21)7-6-15(22)19(14)24/h9,13,15,17-18,22-23,25H,5-8,10-11H2,1-4H3/b12-9+/t13-,15-,17?,18+,21+/m0/s1 |
| InChIKey | XRNBQGUDUGSWJS-MHCYJTNESA-N |
| Mol Weight | 380.5 g/mol |
| Molecular Formula | C21H32O6 |
| Exact Mass | 380.219889 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 | 8cbr3fMxMF3 |
|---|---|
| Name | Tricycloalterfurene D |
| Appearance | Colorless oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H32O6 |
| InChI | InChI=1S/C21H32O6/c1-12(5-8-17(23)20(2,3)25)9-13-11-21(4)18(26-13)10-14-16(27-21)7-6-15(22)19(14)24/h9,13,15,17-18,22-23,25H,5-8,10-11H2,1-4H3/b12-9+/t13-,15-,17?,18+,21+/m0/s1 |
| InChIKey | XRNBQGUDUGSWJS-MHCYJTNESA-N |
| Instrument Name | Autospec Premier P776 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/acs.jnatprod.7b00478 |
| Molecular Weight | 380.481 g/mol |
| Optical Rotation | [a]D20 = +180 (c 0.13, MeOH) |
| Reported Formula | C21H32O6 |
| SMILES | O[C@@]1(C(C2=C(O[C@]3([C@](O[C@@](\C=C\(CCC(C(C)(C)O)O)C)(C3)[H])(C2)[H])C)CC1)=O)[H] |
| SPLASH | splash10-05e9-8719000000-cfd4c09abfc6c20fe454 |
| Source of Spectrum | G4-80-2528-5 |
| Wiley ID | 1867634 |