| SpectraBase Compound ID | z4sSp0ZWKp |
|---|---|
| InChI | InChI=1S/C20H30O3/c1-19-9-7-13(21)11-12(19)3-4-14-15-5-6-17(18(22)23)20(15,2)10-8-16(14)19/h12,14-17H,3-11H2,1-2H3,(H,22,23)/t12?,14-,15-,16-,17?,19-,20-/m0/s1 |
| InChIKey | ANRSEUBEAVHHHI-FUNDTWOHSA-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 | CbjYKJc90Un |
|---|---|
| Name | Androstane-17-carboxylic acid, 3-oxo- |
| 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/c1-19-9-7-13(21)11-12(19)3-4-14-15-5-6-17(18(22)23)20(15,2)10-8-16(14)19/h12,14-17H,3-11H2,1-2H3,(H,22,23)/t12?,14-,15-,16-,17?,19-,20-/m0/s1 |
| InChIKey | ANRSEUBEAVHHHI-FUNDTWOHSA-N |
| Molecular Weight | 318.457 g/mol |
| SMILES | C1(CC[C@]2(C(C1)CC[C@@]1([C@@]2(CC[C@]2([C@]1(CCC2C(O)=O)[H])C)[H])[H])C)=O |