| SpectraBase Compound ID | E4wSqohjfkq |
|---|---|
| InChI | InChI=1S/C20H28O3/c1-13-6-5-7-14(2)18-16(10-8-13)15(12-22-19(18)21)9-11-17-20(3,4)23-17/h6,9,16-18H,2,5,7-8,10-12H2,1,3-4H3/b13-6+,15-9-/t16-,17?,18+/m1/s1 |
| InChIKey | SLBDTTJOIFSXFG-DACSYXBRSA-N |
| Mol Weight | 316.44 g/mol |
| Molecular Formula | C20H28O3 |
| Exact Mass | 316.203845 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KgtNmRK0lcR |
|---|---|
| Name | 9-Deoxyxeniloide-E |
| Appearance | oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H28O3 |
| InChI | InChI=1S/C20H28O3/c1-13-6-5-7-14(2)18-16(10-8-13)15(12-22-19(18)21)9-11-17-20(3,4)23-17/h6,9,16-18H,2,5,7-8,10-12H2,1,3-4H3/b13-6+,15-9-/t16-,17?,18+/m1/s1 |
| InChIKey | SLBDTTJOIFSXFG-DACSYXBRSA-N |
| Instrument Name | JEOL JMS-SX/SX 102A |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np020268z |
| Molecular Weight | 316.441 g/mol |
| Optical Rotation | [a]D25 = +16.8 (c = 0.46, CHCl3) |
| Reported Formula | C20H28O3 |
| SMILES | C1\C([C@@]2([C@@](C(O1)=O)(C(CC\C=C\(CC2)C)=C)[H])[H])=C\CC1C(C)(C)O1 |
| SPLASH | splash10-0006-9000000000-1f4a1c71b0f1c3f94155 |
| Source of Spectrum | G4-65-1885-1 |
| Wiley ID | 1883557 |