| SpectraBase Compound ID | KbzDr9XdTqq |
|---|---|
| InChI | InChI=1S/C21H32O3/c1-13-14(22)12-16-20(4)10-7-9-19(2,3)15(20)8-11-21(16,5)17(13)18(23)24-6/h15-16H,7-12H2,1-6H3/t15-,16+,20-,21+/m1/s1 |
| InChIKey | MKQZLDFSPWCEJZ-XTCWOQMQSA-N |
| Mol Weight | 332.5 g/mol |
| Molecular Formula | C21H32O3 |
| Exact Mass | 332.235145 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C9o2xepEOGK |
|---|---|
| Name | 1-Phenanthrenecarboxylic acid, 3,4,4A,4B,5,6,7,8,8A,9,10,10A-dodecahydro-2,4B,8,8,10A-pentamethyl-3- oxo-, methyl ester, (4A.alpha.,4B.beta.,8A.alpha.,10A.beta.)-(.+-.)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.235144887 u |
| Formula | C21H32O3 |
| InChI | InChI=1S/C21H32O3/c1-13-14(22)12-16-20(4)10-7-9-19(2,3)15(20)8-11-21(16,5)17(13)18(23)24-6/h15-16H,7-12H2,1-6H3/t15-,16+,20-,21+/m1/s1 |
| InChIKey | MKQZLDFSPWCEJZ-XTCWOQMQSA-N |
| Molecular Weight | 332.484 g/mol |
| SMILES | [C@@]12(C(=C(C)C(C[C@]2([C@@]2(CCCC([C@]2(CC1)[H])(C)C)C)[H])=O)C(=O)OC)C |