| SpectraBase Compound ID | 5G6PVfMiNJ7 |
|---|---|
| InChI | InChI=1S/C25H34O/c1-24-14-12-19(26)16-18(24)8-9-20-22-11-10-21(17-6-4-3-5-7-17)25(22,2)15-13-23(20)24/h3-7,10,18-20,22-23,26H,8-9,11-16H2,1-2H3/t18-,19-,20-,22-,23-,24-,25+/m0/s1 |
| InChIKey | SINAMTXBCYKFDL-RVJJPSTCSA-N |
| Mol Weight | 350.5 g/mol |
| Molecular Formula | C25H34O |
| Exact Mass | 350.260966 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CMDer8wXx2B |
|---|---|
| Name | (3Beta,5alpha)-17-phenylandrost-16-en-3-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.260965714 u |
| Formula | C25H34O |
| InChI | InChI=1S/C25H34O/c1-24-14-12-19(26)16-18(24)8-9-20-22-11-10-21(17-6-4-3-5-7-17)25(22,2)15-13-23(20)24/h3-7,10,18-20,22-23,26H,8-9,11-16H2,1-2H3/t18-,19-,20-,22-,23-,24-,25+/m0/s1 |
| InChIKey | SINAMTXBCYKFDL-RVJJPSTCSA-N |
| Molecular Weight | 350.546 g/mol |
| SMILES | C1C[C@]2([C@](C[C@]1(O)[H])(CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC=C2C1=CC=CC=C1)[H])C)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.831399 |