![(1.alpha.,2.beta.,3.alpha.,4.beta.,8.beta.,9.alpha.,10.beta.,11.alpha.,12.beta.,13.alpha.,16.alpha.,17.beta.)-6-oxaononacyclo[9.6.2.2(3,9).1(13,16).0(2,10).0(4,8).0(12,17),0(14,16).0(15,17)]docosan-4,18,20-trien-12,17-dicarboxyloic acid anhydride](/api/spectrum/GUMsp1XxdHL/structure.png?h=300&w=458 "(1.alpha.,2.beta.,3.alpha.,4.beta.,8.beta.,9.alpha.,10.beta.,11.alpha.,12.beta.,13.alpha.,16.alpha.,17.beta.)-6-oxaononacyclo[9.6.2.2(3,9).1(13,16).0(2,10).0(4,8).0(12,17),0(14,16).0(15,17)]docosan-4,18,20-trien-12,17-dicarboxyloic acid anhydride")
| SpectraBase Compound ID | Em3RbgSJgt4 |
|---|---|
| InChI | InChI=1S/C23H22O4/c24-20-22-6-1-2-7(3-6)23(22,21(25)27-20)19-15-11-9-5-26-4-8(9)10-12-13(11)17(19)16(12)18(22)14(10)15/h1-2,6-19H,3-5H2 |
| InChIKey | MNBWQUFYRLAZOJ-UHFFFAOYSA-N |
| Mol Weight | 362.43 g/mol |
| Molecular Formula | C23H22O4 |
| Exact Mass | 362.151809 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GUMsp1XxdHL |
|---|---|
| Name | (1.alpha.,2.beta.,3.alpha.,4.beta.,8.beta.,9.alpha.,10.beta.,11.alpha.,12.beta.,13.alpha.,16.alpha.,17.beta.)-6-oxaononacyclo[9.6.2.2(3,9).1(13,16).0(2,10).0(4,8).0(12,17),0(14,16).0(15,17)]docosan-4,18,20-trien-12,17-dicarboxyloic acid anhydride |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H22O4 |
| InChI | InChI=1S/C23H22O4/c24-20-22-6-1-2-7(3-6)23(22,21(25)27-20)19-15-11-9-5-26-4-8(9)10-12-13(11)17(19)16(12)18(22)14(10)15/h1-2,6-19H,3-5H2 |
| InChIKey | MNBWQUFYRLAZOJ-UHFFFAOYSA-N |
| Molecular Weight | 362.425 g/mol |
| SMILES | C123C(C(=O)OC3=O)(C3C4C5C1C1C3C3C4C5C1C1C3COC1)C1CC2C=C1 |
| SPLASH | splash10-0002-0090000000-544ba8517022549dfa35 |
| Source of Spectrum | J-64-7264-14 |
| Wiley ID | 1531043 |