| SpectraBase Compound ID | Ayg9yYlb00X |
|---|---|
| InChI | InChI=1S/C18H16O8/c1-6-4-10(20)7(2)14-11(6)18(24)26-16-9(5-19)13(21)12(17(22)23)8(3)15(16)25-14/h4,19-21H,5H2,1-3H3,(H,22,23) |
| InChIKey | INMABPVEUVMMPG-UHFFFAOYSA-N |
| Mol Weight | 360.32 g/mol |
| Molecular Formula | C18H16O8 |
| Exact Mass | 360.084517 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HYd1CDU3rN7 |
|---|---|
| Name | conhypoprotocetraric acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H16O8 |
| InChI | InChI=1S/C18H16O8/c1-6-4-10(20)7(2)14-11(6)18(24)26-16-9(5-19)13(21)12(17(22)23)8(3)15(16)25-14/h4,19-21H,5H2,1-3H3,(H,22,23) |
| InChIKey | INMABPVEUVMMPG-UHFFFAOYSA-N |
| Molecular Weight | 360.318 g/mol |
| SMILES | Oc1cc(c2C(Oc3c(c(c(c(c3CO)O)C(=O)O)C)Oc2c1C)=O)C |
| SPLASH | splash10-0ac1-9200000000-3eb01ba5e8b0489937c6 |
| Source of Spectrum | B-48-1479-0 |
| Synonyms | 3,8-Dihydroxy-9-(hydroxymethyl)-1,4,6-trimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid 3,9-Dihydroxy-4-(hydroxymethyl)-1,7,10-trimethyl-6-oxo-2-benzo[b][1,4]benzodioxepincarboxylic acid 3,9-Dihydroxy-4-(hydroxymethyl)-1,7,10-trimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylic acid 3,9-Dihydroxy-4-(hydroxymethyl)-1,7,10-trimethyl-6-oxo-benzo[b][1,4]benzodioxepine-2-carboxylic acid 4-(hydroxymethyl)-1,7,10-trimethyl-3,9-bis(oxidanyl)-6-oxidanylidene-benzo[b][1,4]benzodioxepine-2-carboxylic acid |
| Wiley ID | 1348185 |