| SpectraBase Compound ID | 9EABsQOZNop |
|---|---|
| InChI | InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-,21+/m1/s1 |
| InChIKey | PGZCJOPTDHWYES-NRSPTQNISA-N |
| Mol Weight | 314.47 g/mol |
| Molecular Formula | C21H30O2 |
| Exact Mass | 314.22458 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GUc7Q54JiWt |
|---|---|
| Name | Methyl dehydroabietate |
| Alternate Name(s) | (1S,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester (1S,4aS,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester Methyl (1S,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Methyl (1S,4aS,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H30O2 |
| InChI | InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-,21+/m1/s1 |
| InChIKey | PGZCJOPTDHWYES-NRSPTQNISA-N |
| Molecular Weight | 314.469 g/mol |
| SMILES | [C@@]12([C@]([C@](C(=O)OC)(C)CCC2)(CCc2c1ccc(C(C)C)c2)[H])C |
| SPLASH | splash10-000i-0091000000-dcd0310cbb8046a6919e |
| Source of Spectrum | SK-28-3084-1 |
| Wiley ID | 868641 |