| SpectraBase Compound ID | Ji9hwFJrSx4 |
|---|---|
| InChI | InChI=1S/C27H41BrO3/c1-18(7-9-19-17-20(28)10-11-21(19)24(29)30)8-12-23-26(4)15-6-14-25(2,3)22(26)13-16-27(23,5)31/h10-11,17-18,22-23,31H,6-9,12-16H2,1-5H3,(H,29,30)/t18-,22?,23+,26-,27+/m0/s1 |
| InChIKey | PEDKPBWVOFXKBO-PHJKPKAUSA-N |
| Mol Weight | 493.5 g/mol |
| Molecular Formula | C27H41BrO3 |
| Exact Mass | 492.223908 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CWibhvxzF0f |
|---|---|
| Name | labdan-8a-ol-15-p-bromobenzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H41BrO3 |
| InChI | InChI=1S/C27H41BrO3/c1-18(7-9-19-17-20(28)10-11-21(19)24(29)30)8-12-23-26(4)15-6-14-25(2,3)22(26)13-16-27(23,5)31/h10-11,17-18,22-23,31H,6-9,12-16H2,1-5H3,(H,29,30)/t18-,22?,23+,26-,27+/m0/s1 |
| InChIKey | PEDKPBWVOFXKBO-PHJKPKAUSA-N |
| Molecular Weight | 493.526 g/mol |
| SMILES | OC(c1c(CC[C@@](CC[C@]2([C@@](CCC3[C@@]2(CCCC3(C)C)C)(O)C)[H])(C)[H])cc(cc1)Br)=O |
| SPLASH | splash10-01ox-0600900000-1b1b0f0fbc948d6ab889 |
| Source of Spectrum | F2-45-3160-4 |
| Wiley ID | 1689319 |