| SpectraBase Compound ID | 4ArZWOgSRfC |
|---|---|
| InChI | InChI=1S/C20H26O6/c1-9-10-6-11(21)13-19(7-10,15(9)22)17(24)26-12-4-5-18(2,3)14-16(23)25-8-20(12,13)14/h10-14,16,21,23H,1,4-8H2,2-3H3 |
| InChIKey | WZYJEEIAFBHYJS-UHFFFAOYSA-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 | 2HFTZ9s0H39 |
|---|---|
| Name | Nodosin |
| CAS Registry Number | 10391-09-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H26O6 |
| InChI | InChI=1S/C20H26O6/c1-9-10-6-11(21)13-19(7-10,15(9)22)17(24)26-12-4-5-18(2,3)14-16(23)25-8-20(12,13)14/h10-14,16,21,23H,1,4-8H2,2-3H3 |
| InChIKey | WZYJEEIAFBHYJS-UHFFFAOYSA-N |
| Molecular Weight | 362.422 g/mol |
| SMILES | OC1C2C(CCC3C2(C2C(CC4CC2(C(O3)=O)C(C4=C)=O)O)CO1)(C)C |
| SPLASH | splash10-0006-9802000000-cfcad37be2eeafbe121e |
| Source of Spectrum | E1-42-925-2 |
| Wiley ID | 1552621 |