| SpectraBase Compound ID | 27i2SFak9MW |
|---|---|
| InChI | InChI=1S/C26H42O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h17-23,27H,3-16H2,1-2H3/t18-,19-,20-,21-,22-,23-,25-,26-/m0/s1 |
| InChIKey | RCSWUMZTDMTWBE-SSHVMUOYSA-N |
| Mol Weight | 402.6 g/mol |
| Molecular Formula | C26H42O3 |
| Exact Mass | 402.313395 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KkXqPFjzK3T |
|---|---|
| Name | 17.beta.-Cyclohexylcarbonyloxy-5.alpha.-androstan-3.beta.-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 402.313395209 u |
| Formula | C26H42O3 |
| InChI | InChI=1S/C26H42O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h17-23,27H,3-16H2,1-2H3/t18-,19-,20-,21-,22-,23-,25-,26-/m0/s1 |
| InChIKey | RCSWUMZTDMTWBE-SSHVMUOYSA-N |
| Molecular Weight | 402.619 g/mol |
| SMILES | [C@@]1(C[C@]2([C@](CC1)([C@@]1([C@@](CC2)([C@]2([C@](CC1)([C@@](OC(=O)C1CCCCC1)(CC2)[H])C)[H])[H])[H])C)[H])(O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971594 |