| SpectraBase Compound ID | 1qgyI09JhMt |
|---|---|
| InChI | InChI=1S/C20H30O3/c1-18(2)15-7-6-13-12-19(3,17(22)23-5)10-8-14(13)20(15,4)11-9-16(18)21/h6,14-15H,7-12H2,1-5H3 |
| InChIKey | MMBPQEHAVVKHAX-UHFFFAOYSA-N |
| Mol Weight | 318.46 g/mol |
| Molecular Formula | C20H30O3 |
| Exact Mass | 318.219495 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LPf2O0SjLx5 |
|---|---|
| Name | 2-Phenanthrenecarboxylic acid, 1,2,3,4,4A,4B,5,6,7,8,8A,9-dodecahydro-2,4B,8,8-tetramethyl-7-oxo-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.219494823 u |
| Formula | C20H30O3 |
| InChI | InChI=1S/C20H30O3/c1-18(2)15-7-6-13-12-19(3,17(22)23-5)10-8-14(13)20(15,4)11-9-16(18)21/h6,14-15H,7-12H2,1-5H3 |
| InChIKey | MMBPQEHAVVKHAX-UHFFFAOYSA-N |
| Molecular Weight | 318.457 g/mol |
| SMILES | CC12C3C(CC(CC3)(C(OC)=O)C)=CCC1C(C)(C)C(CC2)=O |