| SpectraBase Compound ID | ELChl3n3yzN |
|---|---|
| InChI | InChI=1S/C20H28O2/c1-12-6-5-7-13(2)16-18(21)15-11-10-14(9-8-12)20(3,4)17(15)19(16)22/h7,14,16,18,21H,1,5-6,8-11H2,2-4H3/b13-7+/t14-,16+,18+/m1/s1 |
| InChIKey | NFIMVVUHGOJOGK-YPVHMRKRSA-N |
| Mol Weight | 300.44 g/mol |
| Molecular Formula | C20H28O2 |
| Exact Mass | 300.20893 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | C8I1QMXt7ju |
|---|---|
| Name | Cespitularin G |
| Appearance | resinous oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H28O2 |
| InChI | InChI=1S/C20H28O2/c1-12-6-5-7-13(2)16-18(21)15-11-10-14(9-8-12)20(3,4)17(15)19(16)22/h7,14,16,18,21H,1,5-6,8-11H2,2-4H3/b13-7+/t14-,16+,18+/m1/s1 |
| InChIKey | NFIMVVUHGOJOGK-YPVHMRKRSA-N |
| Instrument Name | JEOL JMS-SX/SX 102A |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np020077w |
| Molecular Weight | 300.442 g/mol |
| Optical Rotation | [a]D25 = -63.6 (c = 0.16, CHCl3) |
| Reported Formula | C20H28O2 |
| SMILES | O[C@@]1([C@]2(C(C3=C1CC[C@](C3(C)C)(CCC(CC\C=C\2C)=C)[H])=O)[H])[H] |
| SPLASH | splash10-0a4i-9200000000-888e3109e01223b58cf2 |
| Source of Spectrum | G4-65-1433-7 |
| Wiley ID | 1883362 |