| SpectraBase Compound ID | L4iRpz96zjV |
|---|---|
| InChI | InChI=1S/C21H29BrO2/c1-13(2)15-11-14-7-8-18-20(3,16(14)12-17(15)22)9-6-10-21(18,4)19(23)24-5/h11-13,18H,6-10H2,1-5H3/t18?,20-,21-/m1/s1 |
| InChIKey | KRUHQBUNFDJMRN-VTVVEXCCSA-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 | LLwrVOkE9JQ |
|---|---|
| Name | Methyl 12-bromo-(dehydro)abietate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H29BrO2 |
| InChI | InChI=1S/C21H29BrO2/c1-13(2)15-11-14-7-8-18-20(3,16(14)12-17(15)22)9-6-10-21(18,4)19(23)24-5/h11-13,18H,6-10H2,1-5H3/t18?,20-,21-/m1/s1 |
| InChIKey | KRUHQBUNFDJMRN-VTVVEXCCSA-N |
| Molecular Weight | 393.365 g/mol |
| SMILES | [C@]12(c3c(cc(c(c3)Br)C(C)C)CCC1[C@@](C(=O)OC)(C)CCC2)C |
| SPLASH | splash10-00kf-0019000000-b132a75481f810ba653c |
| Source of Spectrum | SK-29-279-2 |
| Synonyms | (1R,4aS)-6-Bromo-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-1-carboxylic acid methyl ester (1R,4aS)-6-bromo-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester Methyl (1R,4aS)-6-bromo-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Methyl (1R,4aS)-6-bromo-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Methyl (1R,4aS)-6-bromanyl-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate |
| Wiley ID | 880356 |