![7,7'-bis[Methyl - (deisopropyl)-dehydroabietate]](/api/spectrum/Iff3XEDx5rg/structure.png?h=300&w=458 "7,7'-bis[Methyl - (deisopropyl)-dehydroabietate]")
| SpectraBase Compound ID | CtZH2e0IyIc |
|---|---|
| InChI | InChI=1S/C36H46O4/c1-33-17-11-19-35(3,31(37)39-5)29(33)21-25(23-13-7-9-15-27(23)33)26-22-30-34(2,28-16-10-8-14-24(26)28)18-12-20-36(30,4)32(38)40-6/h7-10,13-16,25-26,29-30H,11-12,17-22H2,1-6H3/t25-,26-,29-,30-,33-,34-,35-,36-/m1/s1 |
| InChIKey | MTTLGVDEHGUCHT-INXDLEAJSA-N |
| Mol Weight | 542.8 g/mol |
| Molecular Formula | C36H46O4 |
| Exact Mass | 542.33961 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 | Iff3XEDx5rg |
|---|---|
| Name | 7,7'-bis[Methyl - (deisopropyl)-dehydroabietate] |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H46O4 |
| InChI | InChI=1S/C36H46O4/c1-33-17-11-19-35(3,31(37)39-5)29(33)21-25(23-13-7-9-15-27(23)33)26-22-30-34(2,28-16-10-8-14-24(26)28)18-12-20-36(30,4)32(38)40-6/h7-10,13-16,25-26,29-30H,11-12,17-22H2,1-6H3/t25-,26-,29-,30-,33-,34-,35-,36-/m1/s1 |
| InChIKey | MTTLGVDEHGUCHT-INXDLEAJSA-N |
| Molecular Weight | 542.760 g/mol |
| SMILES | [C@@]12([C@@](c3ccccc3[C@]([C@]3(c4c(cccc4)[C@@]4([C@@](C3)([C@](C(=O)OC)(CCC4)C)[H])C)[H])(C1)[H])(CCC[C@]2(C(=O)OC)C)C)[H] |
| SPLASH | splash10-03k9-0290010000-24b48fa61e63fefbb4c4 |
| Source of Spectrum | X2-54-253-7 |
| Wiley ID | 1603889 |