| SpectraBase Compound ID | 5Cad2hdG78p |
|---|---|
| InChI | InChI=1S/C22H30O5/c1-14(2)22(26)11-10-21(3)9-8-15(13-23)12-18(19(21)22)27-20(25)16-4-6-17(24)7-5-16/h4-8,14,18-19,23-24,26H,9-13H2,1-3H3 |
| InChIKey | FPUSCWGZFFIOSW-UHFFFAOYSA-N |
| Mol Weight | 374.48 g/mol |
| Molecular Formula | C22H30O5 |
| Exact Mass | 374.209324 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EwAisrBR91o |
|---|---|
| Name | Feruginidin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H30O5 |
| InChI | InChI=1S/C22H30O5/c1-14(2)22(26)11-10-21(3)9-8-15(13-23)12-18(19(21)22)27-20(25)16-4-6-17(24)7-5-16/h4-8,14,18-19,23-24,26H,9-13H2,1-3H3 |
| InChIKey | FPUSCWGZFFIOSW-UHFFFAOYSA-N |
| Molecular Weight | 374.477 g/mol |
| SMILES | Oc1ccc(C(OC2C3C(CCC3(CC=C(C2)CO)C)(C(C)C)O)=O)cc1 |
| SPLASH | splash10-0udi-0191000000-fa17e26113197b630f99 |
| Source of Spectrum | X2-50-255-1 |
| Synonyms | 4-Hydroxybenzoic acid [3-hydroxy-6-(hydroxymethyl)-8a-methyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] ester [3-hydroxy-6-(hydroxymethyl)-8a-methyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-hydroxybenzoate [3-hydroxy-6-(hydroxymethyl)-3-isopropyl-8a-methyl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-hydroxybenzoate [6-(hydroxymethyl)-8a-methyl-3-oxidanyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-oxidanylbenzoate |
| Wiley ID | 1602207 |