| SpectraBase Compound ID | 69SDRiuZYgL |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-18-6-5-11(20)7-10(18)3-4-12-13-8-14(21)17(23)19(13,2)9-15(22)16(12)18/h10-13,16-17,20,23H,3-9H2,1-2H3/t10-,11+,12-,13-,16+,17?,18-,19-/m0/s1 |
| InChIKey | LGYGSWOONGJAPW-LNRYVBMMSA-N |
| Mol Weight | 320.43 g/mol |
| Molecular Formula | C19H28O4 |
| Exact Mass | 320.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 38LbdZGtGk2 |
|---|---|
| Name | 5.alpha.-Androstan-3.alpha.,17-diol-11,16-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.198759378 u |
| Formula | C19H28O4 |
| InChI | InChI=1S/C19H28O4/c1-18-6-5-11(20)7-10(18)3-4-12-13-8-14(21)17(23)19(13,2)9-15(22)16(12)18/h10-13,16-17,20,23H,3-9H2,1-2H3/t10-,11+,12-,13-,16+,17?,18-,19-/m0/s1 |
| InChIKey | LGYGSWOONGJAPW-LNRYVBMMSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(C(C2)=O)[H])(CC[C@@](O)(C4)[H])C)[H])[H])(CC(C1O)=O)[H])C |