| SpectraBase Compound ID | 9TFrFEYTxsv |
|---|---|
| InChI | InChI=1S/C20H28O4/c1-12-5-6-14-7-8-16-17(19(14,3)4)20(23,24-18(16)22)11-13(2)10-15(21)9-12/h10,14-15,21,23H,1,5-9,11H2,2-4H3/b13-10+/t14-,15?,20?/m1/s1 |
| InChIKey | NAXRGDYBDAKNAZ-OVTMFALKSA-N |
| Mol Weight | 332.44 g/mol |
| Molecular Formula | C20H28O4 |
| Exact Mass | 332.198759 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7Nwf9CMJ9IU |
|---|---|
| Name | Cespitularin D |
| Appearance | oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H28O4 |
| InChI | InChI=1S/C20H28O4/c1-12-5-6-14-7-8-16-17(19(14,3)4)20(23,24-18(16)22)11-13(2)10-15(21)9-12/h10,14-15,21,23H,1,5-9,11H2,2-4H3/b13-10+/t14-,15?,20?/m1/s1 |
| InChIKey | NAXRGDYBDAKNAZ-OVTMFALKSA-N |
| Instrument Name | JEOL JMS-SX/SX 102A |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np020077w |
| Molecular Weight | 332.440 g/mol |
| Optical Rotation | [a]D25 = -169.6 (c = 0.23, CHCl3) |
| SMILES | OC12C\C(=C\C(CC(CC[C@@]3(CCC(=C2C3(C)C)C(O1)=O)[H])=C)O)C |
| SPLASH | splash10-000i-9520000000-fd080aba5cee216b7f31 |
| Source of Spectrum | G4-65-1433-4 |
| Wiley ID | 1883359 |