| SpectraBase Compound ID | 8KKjG73UwyH |
|---|---|
| InChI | InChI=1S/C20H32O4/c1-13(9-12-21)7-8-14-19(4)11-6-10-18(2,3)16(19)15(22)17(23)20(14,5)24/h7-9,12,14-17,22-24H,6,10-11H2,1-5H3/b8-7+,13-9-/t14-,15-,16?,17+,19-,20+/m1/s1 |
| InChIKey | XWVGZNYHKHGOKZ-LEIOERCQSA-N |
| Mol Weight | 336.5 g/mol |
| Molecular Formula | C20H32O4 |
| Exact Mass | 336.23006 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Cr3nrFh7mzw |
|---|---|
| Name | Sterebin J |
| Appearance | Colorless amorphous solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H32O4 |
| InChI | InChI=1S/C20H32O4/c1-13(9-12-21)7-8-14-19(4)11-6-10-18(2,3)16(19)15(22)17(23)20(14,5)24/h7-9,12,14-17,22-24H,6,10-11H2,1-5H3/b8-7+,13-9-/t14-,15-,16?,17+,19-,20+/m1/s1 |
| InChIKey | XWVGZNYHKHGOKZ-LEIOERCQSA-N |
| Instrument Name | Finnigan MAT 8200 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0302091 |
| Molecular Weight | 336.472 g/mol |
| Optical Rotation | [a]D23 = +34.0 (c = 0.42, MeOH) |
| SMILES | O[C@@]1([C@]([C@@](C2C(CCC[C@@]2([C@]1(\C=C\C(=C/C=O)C)[H])C)(C)C)(O)[H])(O)[H])C |
| SPLASH | splash10-0aos-9400000000-52e10f3c03d6e4c010f7 |
| Source of Spectrum | G4-66-1397-2 |
| Wiley ID | 1883888 |