| SpectraBase Compound ID | 44FVdXmmuSM |
|---|---|
| InChI | InChI=1S/C21H28O3/c1-13(2)14-7-8-16-15(11-14)17(22)12-18-20(16,3)9-6-10-21(18,4)19(23)24-5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18?,20-,21-/m1/s1 |
| InChIKey | URPBIQPJABGDJD-VTVVEXCCSA-N |
| Mol Weight | 328.45 g/mol |
| Molecular Formula | C21H28O3 |
| Exact Mass | 328.203845 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1hEFXNJhVXO |
|---|---|
| Name | Methyl 7-oxodehydroabietate |
| Alternate Name(s) | (1R,4aS)-1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid methyl ester (1R,4aS)-7-isopropyl-9-keto-1,4a-dimethyl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid methyl ester Methyl (1R,4aS)-1,4a-dimethyl-9-oxidanylidene-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate Methyl (1R,4aS)-1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate Methyl (1R,4aS)-7-isopropyl-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H28O3 |
| InChI | InChI=1S/C21H28O3/c1-13(2)14-7-8-16-15(11-14)17(22)12-18-20(16,3)9-6-10-21(18,4)19(23)24-5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18?,20-,21-/m1/s1 |
| InChIKey | URPBIQPJABGDJD-VTVVEXCCSA-N |
| Molecular Weight | 328.452 g/mol |
| SMILES | C12[C@@](c3ccc(cc3C(C2)=O)C(C)C)(CCC[C@]1(C(=O)OC)C)C |
| SPLASH | splash10-1029-5695000000-9d9ae7a759a732b9f24b |
| Source of Spectrum | Y2-25-1095-2 |
| Wiley ID | 1547201 |