| SpectraBase Compound ID | J9CjxuqAnmc |
|---|---|
| InChI | InChI=1S/C21H34O3/c1-20-8-7-17-16(18(20)10-13(12-20)19(23)24-3)5-4-14-11-15(22)6-9-21(14,17)2/h13-18,22H,4-12H2,1-3H3/t13-,14+,15+,16-,17+,18+,20-,21+/m1/s1 |
| InChIKey | FNHWSBYRNPKQOV-TWXHLYEGSA-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 | HwgFjT0zrVT |
|---|---|
| Name | Methyl 3-hydroxy-5.alpha.-androstane-16-carboxylate |
| 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/c1-20-8-7-17-16(18(20)10-13(12-20)19(23)24-3)5-4-14-11-15(22)6-9-21(14,17)2/h13-18,22H,4-12H2,1-3H3/t13-,14+,15+,16-,17+,18+,20-,21+/m1/s1 |
| InChIKey | FNHWSBYRNPKQOV-TWXHLYEGSA-N |
| Molecular Weight | 334.500 g/mol |
| SMILES | [C@@]12([C@@]3([C@@]([C@@]4(C[C@@](C(=O)OC)(C[C@]4(CC3)C)[H])[H])([H])CC[C@]2(C[C@](CC1)(O)[H])[H])[H])C |