| SpectraBase Compound ID | Ie2GdBcstuP |
|---|---|
| InChI | InChI=1S/C20H30O6/c1-6-7-8-15(21)9-10-16(22)24-17-13(3)18-20(5,26-14(17)4)11-12(2)19(23)25-18/h9-11,13-15,17-18,21H,6-8H2,1-5H3/b10-9+/t13-,14+,15+,17-,18+,20-/m1/s1 |
| InChIKey | QJUKURZOKSVYNB-QMYRPDPQSA-N |
| Mol Weight | 366.45 g/mol |
| Molecular Formula | C20H30O6 |
| Exact Mass | 366.204239 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IqE2pxP7E75 |
|---|---|
| Name | Botcinin D |
| Appearance | Colorless oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H30O6 |
| InChI | InChI=1S/C20H30O6/c1-6-7-8-15(21)9-10-16(22)24-17-13(3)18-20(5,26-14(17)4)11-12(2)19(23)25-18/h9-11,13-15,17-18,21H,6-8H2,1-5H3/b10-9+/t13-,14+,15+,17-,18+,20-/m1/s1 |
| InChIKey | QJUKURZOKSVYNB-QMYRPDPQSA-N |
| Instrument Name | JEOL AX505HA |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0503855 |
| Molecular Weight | 366.454 g/mol |
| Optical Rotation | [a]D25 = -18 (c = 0.38, EtOH) |
| Reported Formula | C20H30O6 |
| SMILES | O[C@](\C=C\C(O[C@]1([C@@](O[C@@]2(C=C(C(O[C@]2([C@@]1(C)[H])[H])=O)C)C)(C)[H])[H])=O)(CCCC)[H] |
| SPLASH | splash10-05tb-4920000000-46cafea002cb74c549ae |
| Source of Spectrum | G4-68-1771-4 |
| Wiley ID | 1879505 |