| SpectraBase Compound ID | JUr5JErQkKK |
|---|---|
| InChI | InChI=1S/C22H34O6/c1-13-8-6-10-14(2)19(27-16(4)23)20-17(15(3)21(24)25)12-18(28-20)22(5,26)11-7-9-13/h9,14,17-20,26H,3,6-8,10-12H2,1-2,4-5H3,(H,24,25)/b13-9+/t14-,17+,18+,19+,20-,22-/m1/s1 |
| InChIKey | KGYLWMQFSQJTGI-OLBOHSFISA-N |
| Mol Weight | 394.5 g/mol |
| Molecular Formula | C22H34O6 |
| Exact Mass | 394.235539 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8v2DIB5wdQd |
|---|---|
| Name | 13-Acetoxyeupalmerocarboxylic acid |
| Alternate Name(s) | 2-[(1S,2R,5E,10R,11S,12R,13S)-11-acetyloxy-2-hydroxy-2,6,10-trimethyl-15-oxabicyclo[10.2.1]pentadec-5-en-13-yl]-2-propenoic acid 2-[(1S,2R,5E,10R,11S,12R,13S)-11-acetyloxy-2-hydroxy-2,6,10-trimethyl-15-oxabicyclo[10.2.1]pentadec-5-en-13-yl]prop-2-enoic acid 2-[(1S,2R,5E,10R,11S,12R,13S)-11-acetoxy-2-hydroxy-2,6,10-trimethyl-15-oxabicyclo[10.2.1]pentadec-5-en-13-yl]prop-2-enoic acid 2-[(1S,2R,5E,10R,11S,12R,13S)-11-acetyloxy-2,6,10-trimethyl-2-oxidanyl-15-oxabicyclo[10.2.1]pentadec-5-en-13-yl]prop-2-enoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H34O6 |
| InChI | InChI=1S/C22H34O6/c1-13-8-6-10-14(2)19(27-16(4)23)20-17(15(3)21(24)25)12-18(28-20)22(5,26)11-7-9-13/h9,14,17-20,26H,3,6-8,10-12H2,1-2,4-5H3,(H,24,25)/b13-9+/t14-,17+,18+,19+,20-,22-/m1/s1 |
| InChIKey | KGYLWMQFSQJTGI-OLBOHSFISA-N |
| Molecular Weight | 394.508 g/mol |
| SMILES | OC(C([C@]1([C@]2(O[C@]([C@@](CC\C=C\(CCC[C@]([C@@]2(OC(=O)C)[H])(C)[H])C)(O)C)(C1)[H])[H])[H])=C)=O |
| SPLASH | splash10-001i-6009000000-8c2ec2f4a6cd61c8ef12 |
| Source of Spectrum | J-66-656-27 |
| Wiley ID | 1534316 |