| SpectraBase Compound ID | 7oYBhg7Nf7w |
|---|---|
| InChI | InChI=1S/C20H26O2/c1-12(2)14-11-13-7-8-15-19(3,4)9-6-10-20(15,5)16(13)18(22)17(14)21/h7-8,11-12,15H,6,9-10H2,1-5H3/t15-,20+/m1/s1 |
| InChIKey | BMXBLMQPMDQOTK-QRWLVFNGSA-N |
| Mol Weight | 298.43 g/mol |
| Molecular Formula | C20H26O2 |
| Exact Mass | 298.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JRk2rS9hJjS |
|---|---|
| Name | Abieta-6,8,13-triene-11,12-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.193280075 u |
| Formula | C20H26O2 |
| InChI | InChI=1S/C20H26O2/c1-12(2)14-11-13-7-8-15-19(3,4)9-6-10-20(15,5)16(13)18(22)17(14)21/h7-8,11-12,15H,6,9-10H2,1-5H3/t15-,20+/m1/s1 |
| InChIKey | BMXBLMQPMDQOTK-QRWLVFNGSA-N |
| SMILES | C=12[C@@]3([C@](C(C)(C)CCC3)([H])C=CC1C=C(C(C2=O)=O)C(C)C)C |