| SpectraBase Compound ID | JHsJRNbx0nh |
|---|---|
| InChI | InChI=1S/C25H26O6/c1-13(2)5-6-16-17(9-14-7-8-25(3,4)31-24(14)23(16)29)20-12-19(28)22-18(27)10-15(26)11-21(22)30-20/h5,7-11,20,26-27,29H,6,12H2,1-4H3/t20-/m0/s1 |
| InChIKey | WPVMLODCRMLWMB-FQEVSTJZSA-N |
| Mol Weight | 422.48 g/mol |
| Molecular Formula | C25H26O6 |
| Exact Mass | 422.172939 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 92vaktSzAC5 |
|---|---|
| Name | Sigmoidin F |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H26O6 |
| InChI | InChI=1S/C25H26O6/c1-13(2)5-6-16-17(9-14-7-8-25(3,4)31-24(14)23(16)29)20-12-19(28)22-18(27)10-15(26)11-21(22)30-20/h5,7-11,20,26-27,29H,6,12H2,1-4H3/t20-/m0/s1 |
| InChIKey | WPVMLODCRMLWMB-FQEVSTJZSA-N |
| Molecular Weight | 422.477 g/mol |
| SMILES | Oc1c(c([C@@]2(CC(c3c(cc(cc3O2)O)O)=O)[H])cc2c1OC(C=C2)(C)C)CC=C(C)C |
| SPLASH | splash10-0zfr-3823900000-384d3218cb96a95a0525 |
| Source of Spectrum | X2-52-1317-1 |
| Wiley ID | 1603352 |