| SpectraBase Compound ID | JgjF6JlXNXv |
|---|---|
| InChI | InChI=1S/C26H34O3/c1-25-12-11-22-21(9-8-18-14-19(27)10-13-26(18,22)2)23(25)15-20(16-25)29-24(28)17-6-4-3-5-7-17/h3-7,18,20-23H,8-16H2,1-2H3/t18-,20+,21?,22?,23?,25-,26+/m1/s1 |
| InChIKey | UGTHKWHEVFDNNV-OAVOMLTJSA-N |
| Mol Weight | 394.6 g/mol |
| Molecular Formula | C26H34O3 |
| Exact Mass | 394.250795 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LhDmjVr7brm |
|---|---|
| Name | 3-oxo-5.beta.-Androstan-16.beta.-yl benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 394.250794952 u |
| Formula | C26H34O3 |
| InChI | InChI=1S/C26H34O3/c1-25-12-11-22-21(9-8-18-14-19(27)10-13-26(18,22)2)23(25)15-20(16-25)29-24(28)17-6-4-3-5-7-17/h3-7,18,20-23H,8-16H2,1-2H3/t18-,20+,21?,22?,23?,25-,26+/m1/s1 |
| InChIKey | UGTHKWHEVFDNNV-OAVOMLTJSA-N |
| Molecular Weight | 394.555 g/mol |
| SMILES | [C@]12(C3C(C4C[C@](OC(=O)C=5C=CC=CC5)(C[C@]4(CC3)C)[H])CC[C@@]1(CC(CC2)=O)[H])C |