| SpectraBase Compound ID | 6LOUClAPLQB |
|---|---|
| InChI | InChI=1S/C24H40O3/c1-21(2,3)27-17-8-11-22(4)16(14-17)6-7-18-19(22)9-12-23(5)20(18)10-13-24(23,26)15-25/h15-20,26H,6-14H2,1-5H3/t16-,17-,18+,19-,20-,22-,23-,24-/m0/s1 |
| InChIKey | FCYRAXNNOPPYLW-YGIPXMDJSA-N |
| Mol Weight | 376.6 g/mol |
| Molecular Formula | C24H40O3 |
| Exact Mass | 376.297745 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8DB4BQ9I27S |
|---|---|
| Name | 3.beta.-Tert-butoxy-17.alpha.-hydroxy-5.alpha.-androstane-17.beta.-carboxaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.297745145 u |
| Formula | C24H40O3 |
| InChI | InChI=1S/C24H40O3/c1-21(2,3)27-17-8-11-22(4)16(14-17)6-7-18-19(22)9-12-23(5)20(18)10-13-24(23,26)15-25/h15-20,26H,6-14H2,1-5H3/t16-,17-,18+,19-,20-,22-,23-,24-/m0/s1 |
| InChIKey | FCYRAXNNOPPYLW-YGIPXMDJSA-N |
| Molecular Weight | 376.581 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@](OC(C)(C)C)(C4)[H])C)[H])[H])(CC[C@@]1(C=O)O)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.914047 |