| SpectraBase Compound ID | 156Umvb8ZxD |
|---|---|
| InChI | InChI=1S/C21H34O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h14-19,23H,4-12H2,1-3H3/t14?,15-,16-,17-,18-,19-,20-,21-/m0/s1 |
| InChIKey | HPSZQGQRLMRJLO-AZWWFFMLSA-N |
| Mol Weight | 334.5 g/mol |
| Molecular Formula | C21H34O3 |
| Exact Mass | 334.250795 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7xBNdPQqaGu |
|---|---|
| Name | 3.beta.-Hydroxyandrostane-17.beta.-yl acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.250794952 u |
| Formula | C21H34O3 |
| InChI | InChI=1S/C21H34O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h14-19,23H,4-12H2,1-3H3/t14?,15-,16-,17-,18-,19-,20-,21-/m0/s1 |
| InChIKey | HPSZQGQRLMRJLO-AZWWFFMLSA-N |
| Molecular Weight | 334.500 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CCC4[C@@]([C@]3(CC2)[H])(CC[C@](O)(C4)[H])C)[H])(CC[C@@]1(OC(=O)C)[H])[H])C |