| SpectraBase Compound ID | JRnCXmKtfjY |
|---|---|
| InChI | InChI=1S/C20H10O7/c21-9-6-7-19-14-8(9)2-1-3-11(14)26-20(27-19)15-12(25-19)5-4-10(22)13(15)16(23)17-18(20)24-17/h1-7,17-18,22H/t17-,18-,19-,20+/m1/s1 |
| InChIKey | YMTRIUFFDHMDKK-WTGUMLROSA-N |
| Mol Weight | 362.29 g/mol |
| Molecular Formula | C20H10O7 |
| Exact Mass | 362.042653 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 24wHysJc6Om |
|---|---|
| Name | 1,1'dioxopreussomerin A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H10O7 |
| InChI | InChI=1S/C20H10O7/c21-9-6-7-19-14-8(9)2-1-3-11(14)26-20(27-19)15-12(25-19)5-4-10(22)13(15)16(23)17-18(20)24-17/h1-7,17-18,22H/t17-,18-,19-,20+/m1/s1 |
| InChIKey | YMTRIUFFDHMDKK-WTGUMLROSA-N |
| Molecular Weight | 362.293 g/mol |
| SMILES | Oc1c2c3[C@@]4([C@]5([C@](O5)(C2=O)[H])[H])O[C@]2(Oc3cc1)C=CC(c1c2c(O4)ccc1)=O |
| SPLASH | splash10-03di-0709000000-16348b0c3453cdb8cf68 |
| Source of Spectrum | J-56-4360-8 |
| Synonyms | Preussomerin G (1S,2R,4S,12R)-7-hydroxy-3,11,21,22-tetraoxaheptacyclo[10.9.1.1(1,6).1(12,16).0(2,4).0(10,24).0(20,23)]tetracosa-6(24),7,9,13,16(23),17,19-heptaene-5,15-dione |
| Wiley ID | 1349536 |