| SpectraBase Compound ID | Awr9HlSZN0U |
|---|---|
| InChI | InChI=1S/C21H29BrO2/c1-13(2)14-7-9-16-15(18(14)22)8-10-17-20(16,3)11-6-12-21(17,4)19(23)24-5/h7,9,13,17H,6,8,10-12H2,1-5H3/t17?,20-,21-/m1/s1 |
| InChIKey | SBHUJNUUWBYESB-LTGQRPFBSA-N |
| Mol Weight | 393.37 g/mol |
| Molecular Formula | C21H29BrO2 |
| Exact Mass | 392.135093 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5DKyKeXPZ2k |
|---|---|
| Name | Methyl 14-bromo-(dehydro)abietate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H29BrO2 |
| InChI | InChI=1S/C21H29BrO2/c1-13(2)14-7-9-16-15(18(14)22)8-10-17-20(16,3)11-6-12-21(17,4)19(23)24-5/h7,9,13,17H,6,8,10-12H2,1-5H3/t17?,20-,21-/m1/s1 |
| InChIKey | SBHUJNUUWBYESB-LTGQRPFBSA-N |
| Molecular Weight | 393.365 g/mol |
| SMILES | [C@]12(c3c(c(Br)c(cc3)C(C)C)CCC1[C@@](C(=O)OC)(C)CCC2)C |
| SPLASH | splash10-00kf-0019000000-faaa8faf9f3a989e5ceb |
| Source of Spectrum | SK-29-280-3 |
| Synonyms | (1R,4aS)-8-Bromo-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-1-carboxylic acid methyl ester (1R,4aS)-8-bromo-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester Methyl (1R,4aS)-8-bromo-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Methyl (1R,4aS)-8-bromo-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Methyl (1R,4aS)-8-bromanyl-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate |
| Wiley ID | 880355 |