| SpectraBase Compound ID | JGLjfG10So |
|---|---|
| InChI | InChI=1S/C23H32O4/c1-13(24)23(4)20-8-7-19-17(18(20)12-21(23)26)6-5-15-11-16(27-14(2)25)9-10-22(15,19)3/h5,16-17,19,21,26H,6-12H2,1-4H3/t16-,17?,19?,21-,22-,23-/m0/s1 |
| InChIKey | OIUGRVVWNZTNEY-GSEDUYOVSA-N |
| Mol Weight | 372.5 g/mol |
| Molecular Formula | C23H32O4 |
| Exact Mass | 372.23006 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | E7HnLDNdiow |
|---|---|
| Name | 16.beta.-Hydroxy-17.beta.-methyl-20-oxo-18-nor-17.alpha.-pregna-5,13-dien-3.beta.-yl acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 372.230059506 u |
| Formula | C23H32O4 |
| InChI | InChI=1S/C23H32O4/c1-13(24)23(4)20-8-7-19-17(18(20)12-21(23)26)6-5-15-11-16(27-14(2)25)9-10-22(15,19)3/h5,16-17,19,21,26H,6-12H2,1-4H3/t16-,17?,19?,21-,22-,23-/m0/s1 |
| InChIKey | OIUGRVVWNZTNEY-GSEDUYOVSA-N |
| Molecular Weight | 372.505 g/mol |
| SMILES | C12=C(C3CC=C4[C@@](C3CC2)(CC[C@](OC(=O)C)(C4)[H])C)C[C@@]([C@]1(C(=O)C)C)(O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.854497 |