| SpectraBase Compound ID | Dy4pJQLR6am |
|---|---|
| InChI | InChI=1S/C23H34O4/c1-13(25)21-6-7-22-20-10-15(12-24)19-11-16(27-14(2)26)4-5-17(19)18(20)8-9-23(21,22)3/h15-16,18,20-22,24H,4-12H2,1-3H3/t15-,16-,18+,20+,21+,22-,23+/m0/s1 |
| InChIKey | FWQRJAPFIJADRF-LTQPOFTFSA-N |
| Mol Weight | 374.5 g/mol |
| Molecular Formula | C23H34O4 |
| Exact Mass | 374.24571 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | MYRZBdkvao |
|---|---|
| Name | 3A-Acetoxy-6S-(hydroxymethyl)-pregna-5(10)-en-20-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.245709571 u |
| Formula | C23H34O4 |
| InChI | InChI=1S/C23H34O4/c1-13(25)21-6-7-22-20-10-15(12-24)19-11-16(27-14(2)26)4-5-17(19)18(20)8-9-23(21,22)3/h15-16,18,20-22,24H,4-12H2,1-3H3/t15-,16-,18+,20+,21+,22-,23+/m0/s1 |
| InChIKey | FWQRJAPFIJADRF-LTQPOFTFSA-N |
| Molecular Weight | 374.521 g/mol |
| SMILES | C1CC=2[C@@]3([C@](C[C@](C2C[C@]1(OC(=O)C)[H])(CO)[H])([H])[C@@]1(CC[C@@]([C@@]1(C)CC3)(C(C)=O)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.89594 |