![(3aR,5aR)-[1-Isopropyl-3a-methyl-8-oxo-2,3,3a,4,6,7,8-octahydro-5aH-cyclopenta[a]naphthalene-5a-yl]methyl 2,2-dimethylpropanoate](/api/spectrum/C8ACu3SzCeS/structure.png?h=300&w=458 "(3aR,5aR)-[1-Isopropyl-3a-methyl-8-oxo-2,3,3a,4,6,7,8-octahydro-5aH-cyclopenta[a]naphthalene-5a-yl]methyl 2,2-dimethylpropanoate")
| SpectraBase Compound ID | KXozMoQhWpf |
|---|---|
| InChI | InChI=1S/C23H34O3/c1-15(2)17-8-9-22(6)11-12-23(14-26-20(25)21(3,4)5)10-7-16(24)13-18(23)19(17)22/h13,15H,7-12,14H2,1-6H3/t22-,23-/m1/s1 |
| InChIKey | VMARLQRCCXFEQO-DHIUTWEWSA-N |
| Mol Weight | 358.5 g/mol |
| Molecular Formula | C23H34O3 |
| Exact Mass | 358.250795 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | C8ACu3SzCeS |
|---|---|
| Name | (3aR,5aR)-[1-Isopropyl-3a-methyl-8-oxo-2,3,3a,4,6,7,8-octahydro-5aH-cyclopenta[a]naphthalene-5a-yl]methyl 2,2-dimethylpropanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H34O3 |
| InChI | InChI=1S/C23H34O3/c1-15(2)17-8-9-22(6)11-12-23(14-26-20(25)21(3,4)5)10-7-16(24)13-18(23)19(17)22/h13,15H,7-12,14H2,1-6H3/t22-,23-/m1/s1 |
| InChIKey | VMARLQRCCXFEQO-DHIUTWEWSA-N |
| Molecular Weight | 358.522 g/mol |
| SMILES | C1=2C3=C(CC[C@]3(C)CC[C@@]1(COC(C(C)(C)C)=O)CCC(C2)=O)C(C)C |
| SPLASH | splash10-0a4i-0094000000-b65cccf03f3fc59bbadb |
| Source of Spectrum | K1-0-4838-52 |
| Synonyms | 2,2-Dimethylpropanoic acid [(3aR,5aR)-3a-methyl-8-oxo-1-propan-2-yl-2,3,4,5,6,7-hexahydrocyclopenta[a]naphthalen-5a-yl]methyl ester [(3aR,5aR)-3a-methyl-8-oxo-1-propan-2-yl-2,3,4,5,6,7-hexahydrocyclopenta[a]naphthalen-5a-yl]methyl 2,2-dimethylpropanoate [(3aR,5aR)-1-isopropyl-3a-methyl-8-oxo-2,3,4,5,6,7-hexahydrocyclopenta[a]naphthalen-5a-yl]methyl 2,2-dimethylpropanoate [(3aR,5aR)-3a-methyl-8-oxidanylidene-1-propan-2-yl-2,3,4,5,6,7-hexahydrocyclopenta[a]naphthalen-5a-yl]methyl 2,2-dimethylpropanoate |
| Wiley ID | 1589764 |