| SpectraBase Compound ID | 5YpOaL7xWDw |
|---|---|
| InChI | InChI=1S/C26H38O2/c1-25-12-10-20(27)16-19(25)8-9-21-22(25)11-13-26(2)23(21)15-18(24(26)28)14-17-6-4-3-5-7-17/h8,14,17,20-23,27H,3-7,9-13,15-16H2,1-2H3/b18-14-/t20-,21+,22-,23-,25-,26-/m0/s1 |
| InChIKey | YIDFOCUBJRIXOB-AJFKJGJJSA-N |
| Mol Weight | 382.6 g/mol |
| Molecular Formula | C26H38O2 |
| Exact Mass | 382.28718 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1BLjBA5Kgey |
|---|---|
| Name | 3Beta-hydroxy-16-cyclohexylmethylen-DELTA5-androsten-17-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.287180462 u |
| Formula | C26H38O2 |
| InChI | InChI=1S/C26H38O2/c1-25-12-10-20(27)16-19(25)8-9-21-22(25)11-13-26(2)23(21)15-18(24(26)28)14-17-6-4-3-5-7-17/h8,14,17,20-23,27H,3-7,9-13,15-16H2,1-2H3/b18-14-/t20-,21+,22-,23-,25-,26-/m0/s1 |
| InChIKey | YIDFOCUBJRIXOB-AJFKJGJJSA-N |
| Molecular Weight | 382.588 g/mol |
| SMILES | C1C[C@]2(C(C[C@]1(O)[H])=CC[C@@]1([C@@]2(CC[C@]2([C@]1(C\C(C2=O)=C\C1CCCCC1)[H])C)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.870941 |