| SpectraBase Compound ID | Ap1vxEExYjb |
|---|---|
| InChI | InChI=1S/C20H26O6/c1-11(2)12-5-13(21)7-18-16(22)10-20(3,26-18)9-14-8-15(19(23)25-14)17(6-12)24-4/h8,12,14,17-18H,1,5-7,9-10H2,2-4H3/t12-,14+,17+,18+,20+/m1/s1 |
| InChIKey | ZLDOSIVXLFPCIZ-YMPZZIEYSA-N |
| Mol Weight | 362.42 g/mol |
| Molecular Formula | C20H26O6 |
| Exact Mass | 362.172939 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AdnDhPF9fI1 |
|---|---|
| Name | Scabrolide C |
| Appearance | White solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H26O6 |
| InChI | InChI=1S/C20H26O6/c1-11(2)12-5-13(21)7-18-16(22)10-20(3,26-18)9-14-8-15(19(23)25-14)17(6-12)24-4/h8,12,14,17-18H,1,5-7,9-10H2,2-4H3/t12-,14+,17+,18+,20+/m1/s1 |
| InChIKey | ZLDOSIVXLFPCIZ-YMPZZIEYSA-N |
| Instrument Name | VG Quattro GC/MS |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np020280r |
| Molecular Weight | 362.422 g/mol |
| Optical Rotation | [a]D29 = -16.7(c = 0.60, CHCl3) |
| Reported Formula | C20H26O6 |
| SMILES | [C@@]12(O[C@](C(C2)=O)(CC(C[C@](C[C@@](C2=C[C@@](C1)(OC2=O)[H])(OC)[H])(C(=C)C)[H])=O)[H])C |
| SPLASH | splash10-03di-0900000000-c4474ff218e12bca7fe5 |
| Source of Spectrum | G4-65-1908-3 |
| Wiley ID | 1883564 |