| SpectraBase Compound ID | GGZHq4Jz0iw |
|---|---|
| InChI | InChI=1S/C23H38O2/c1-5-16-10-12-19-18-11-9-17-8-6-7-13-22(17,3)20(18)14-21(23(16,19)4)25-15(2)24/h16-21H,5-14H2,1-4H3/t16-,17+,18-,19-,20-,21+,22-,23+/m0/s1 |
| InChIKey | PMLRAQVWZLPWOW-QQIDZAGHSA-N |
| Mol Weight | 346.6 g/mol |
| Molecular Formula | C23H38O2 |
| Exact Mass | 346.28718 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 84z36wZ6dSe |
|---|---|
| Name | 12(beta)-Acetoxy-5-(alpha)-pregnane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.287180462 u |
| Formula | C23H38O2 |
| InChI | InChI=1S/C23H38O2/c1-5-16-10-12-19-18-11-9-17-8-6-7-13-22(17,3)20(18)14-21(23(16,19)4)25-15(2)24/h16-21H,5-14H2,1-4H3/t16-,17+,18-,19-,20-,21+,22-,23+/m0/s1 |
| InChIKey | PMLRAQVWZLPWOW-QQIDZAGHSA-N |
| Molecular Weight | 346.555 g/mol |
| SMILES | C1CC[C@]2([C@](C1)(CC[C@@]1([C@@]2(C[C@@](OC(C)=O)([C@]2([C@]1(CC[C@@]2(CC)[H])[H])C)[H])[H])[H])[H])C |