| SpectraBase Compound ID | 5dKn2RuQEiS |
|---|---|
| InChI | InChI=1S/C32H44O12/c1-16(2)29(39)42-23-14-24(37)30(9,10)13-12-17(3)27(38)32(44-22(8)36)15-31(11,43-21(7)35)28(41-20(6)34)25(32)26(18(23)4)40-19(5)33/h12-13,16-17,23,25-26,28H,4,14-15H2,1-3,5-11H3/b13-12+/t17-,23-,25+,26+,28-,31-,32-/m1/s1 |
| InChIKey | YYEKMGSWPBYHOE-IDOFVWIOSA-N |
| Mol Weight | 620.7 g/mol |
| Molecular Formula | C32H44O12 |
| Exact Mass | 620.283277 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FtXKG0K5iAm |
|---|---|
| Name | 2,3,5,15-Tetraacetoxy-7-(isobutyroyloxy)-9,14-dioxo-Jatropha-6(17),11(E)-diene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H44O12 |
| InChI | InChI=1S/C32H44O12/c1-16(2)29(39)42-23-14-24(37)30(9,10)13-12-17(3)27(38)32(44-22(8)36)15-31(11,43-21(7)35)28(41-20(6)34)25(32)26(18(23)4)40-19(5)33/h12-13,16-17,23,25-26,28H,4,14-15H2,1-3,5-11H3/b13-12+/t17-,23-,25+,26+,28-,31-,32-/m1/s1 |
| InChIKey | YYEKMGSWPBYHOE-IDOFVWIOSA-N |
| Molecular Weight | 620.692 g/mol |
| SMILES | [C@]12([C@@]([C@](C([C@@](CC(C(\C=C\[C@](C2=O)(C)[H])(C)C)=O)(OC(=O)C(C)C)[H])=C)(OC(=O)C)[H])([C@@](OC(=O)C)([C@@](C1)(OC(=O)C)C)[H])[H])OC(=O)C |
| SPLASH | splash10-001i-9000020000-acd24bd1a1b4d590a2c6 |
| Source of Spectrum | G4-61-756-19 |
| Synonyms | 2-Methylpropanoic acid [(1R,2R,3aR,5R,6E,11R,13R,13aS)-1,2,3a,13-tetraacetyloxy-2,5,8,8-tetramethyl-12-methylene-4,9-dioxo-3,5,10,11,13,13a-hexahydro-1H-cyclopenta[12]annulen-11-yl] ester [(1R,2R,3aR,5R,6E,11R,13R,13aS)-1,2,3a,13-tetraacetyloxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-3,5,10,11,13,13a-hexahydro-1H-cyclopenta[12]annulen-11-yl] 2-methylpropanoate [(1R,2R,3aR,5R,6E,11R,13R,13aS)-1,2,3a,13-tetraacetoxy-2,5,8,8-tetramethyl-12-methylene-4,9-dioxo-3,5,10,11,13,13a-hexahydro-1H-cyclopenta[12]annulen-11-yl] 2-methylpropanoate [(1R,2R,3aR,5R,6E,11R,13R,13aS)-1,2,3a,13-tetraacetyloxy-2,5,8,8-tetramethyl-12-methylidene-4,9-bis(oxidanylidene)-3,5,10,11,13,13a-hexahydro-1H-cyclopenta[12]annulen-11-yl] 2-methylpropanoate |
| Wiley ID | 1607260 |