| SpectraBase Compound ID | LAopjsilgJO |
|---|---|
| InChI | InChI=1S/C26H36O/c1-17-6-4-5-7-20(17)22-10-11-23-21-9-8-18-16-19(27)12-14-25(18,2)24(21)13-15-26(22,23)3/h4-7,10,18-19,21,23-24,27H,8-9,11-16H2,1-3H3/t18-,19-,21-,23-,24-,25-,26+/m0/s1 |
| InChIKey | AZAWATXLQWCJAR-MDZUPUDVSA-N |
| Mol Weight | 364.6 g/mol |
| Molecular Formula | C26H36O |
| Exact Mass | 364.276616 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 20AXgXgC4Rl |
|---|---|
| Name | (3Beta,5alpha)-17-(2'-methylphenyl)-5alpha-androst-16-en-3-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.276615778 u |
| Formula | C26H36O |
| InChI | InChI=1S/C26H36O/c1-17-6-4-5-7-20(17)22-10-11-23-21-9-8-18-16-19(27)12-14-25(18,2)24(21)13-15-26(22,23)3/h4-7,10,18-19,21,23-24,27H,8-9,11-16H2,1-3H3/t18-,19-,21-,23-,24-,25-,26+/m0/s1 |
| InChIKey | AZAWATXLQWCJAR-MDZUPUDVSA-N |
| Molecular Weight | 364.573 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=C1C)[H])C)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.837882 |