| SpectraBase Compound ID | Hno6dx5OkKK |
|---|---|
| InChI | InChI=1S/C23H36O4/c1-13(24)17-5-6-18-16-12-21(26)20-11-15(27-14(2)25)7-9-23(20,4)19(16)8-10-22(17,18)3/h12-13,15,17-21,24,26H,5-11H2,1-4H3/t13-,15+,17-,18?,19?,20-,21+,22-,23-/m1/s1 |
| InChIKey | JAZAXRLDWCCFHT-MWSZZIRPSA-N |
| Mol Weight | 376.5 g/mol |
| Molecular Formula | C23H36O4 |
| Exact Mass | 376.26136 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HHI745d3Kzi |
|---|---|
| Name | (20R)-3.beta.-Acetoxy-6.alpha.,20-dihydroxypregn-7-ene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.261359635 u |
| Formula | C23H36O4 |
| InChI | InChI=1S/C23H36O4/c1-13(24)17-5-6-18-16-12-21(26)20-11-15(27-14(2)25)7-9-23(20,4)19(16)8-10-22(17,18)3/h12-13,15,17-21,24,26H,5-11H2,1-4H3/t13-,15+,17-,18?,19?,20-,21+,22-,23-/m1/s1 |
| InChIKey | JAZAXRLDWCCFHT-MWSZZIRPSA-N |
| Molecular Weight | 376.537 g/mol |
| SMILES | C1=2C([C@]3(CC[C@](OC(=O)C)(C[C@@]3([C@](C2)(O)[H])[H])[H])C)CC[C@]2(C1CC[C@@]2([C@](O)(C)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.857859 |