| SpectraBase Compound ID | gdBub0a7P3 |
|---|---|
| InChI | InChI=1S/C29H38O7/c1-18(2)11-9-12-19(3)13-10-14-20(4)15-16-25-21(5)26(17-30)28(35-23(7)32)29(36-24(8)33)27(25)34-22(6)31/h11,13,15,17H,9-10,12,14,16H2,1-8H3/b19-13+,20-15+ |
| InChIKey | YMQRMHZQDYNHLT-YLYRKCBPSA-N |
| Mol Weight | 498.6 g/mol |
| Molecular Formula | C29H38O7 |
| Exact Mass | 498.261754 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7O5iVJlHCDG |
|---|---|
| Name | Triacetylscutigeral |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H38O7 |
| InChI | InChI=1S/C29H38O7/c1-18(2)11-9-12-19(3)13-10-14-20(4)15-16-25-21(5)26(17-30)28(35-23(7)32)29(36-24(8)33)27(25)34-22(6)31/h11,13,15,17H,9-10,12,14,16H2,1-8H3/b19-13+,20-15+ |
| InChIKey | YMQRMHZQDYNHLT-YLYRKCBPSA-N |
| Molecular Weight | 498.616 g/mol |
| SMILES | c1(c(c(c(C)c(c1OC(=O)C)C\C=C\(CC\C=C\(CCC=C(C)C)C)C)C=O)OC(=O)C)OC(=O)C |
| SPLASH | splash10-00li-6952100000-b2432e0e4d128b435596 |
| Source of Spectrum | EMC-32-355-1b |
| Synonyms | 4-Formyl-5-methyl-6-((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)benzene-1,2,3-triyl triacetate Acetic acid [2,3-diacetyloxy-4-formyl-5-methyl-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phenyl] ester [2,3-diacetyloxy-4-formyl-5-methyl-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phenyl] acetate [2,3-diacetoxy-4-formyl-5-methyl-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phenyl] acetate [2,3-diacetyloxy-4-methanoyl-5-methyl-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phenyl] ethanoate |
| Wiley ID | 1734338 |