| SpectraBase Compound ID | 5vbs8eYSJUS |
|---|---|
| InChI | InChI=1S/C24H40O4/c1-15(5-4-12-25)18-6-7-19-22-20(9-11-24(18,19)3)23(2)10-8-17(26)13-16(23)14-21(27)28-22/h15-20,22,25-26H,4-14H2,1-3H3/t15-,16+,17-,18?,19?,20?,22?,23+,24-/m1/s1 |
| InChIKey | AZEZRYWYRKBXLQ-WTDGGEGWSA-N |
| Mol Weight | 392.6 g/mol |
| Molecular Formula | C24H40O4 |
| Exact Mass | 392.29266 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1akSPfrbxGw |
|---|---|
| Name | 3.alpha.,24-Dihydroxy-B-homo-8-oxa-5.beta.-cholan-7-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 392.292659764 u |
| Formula | C24H40O4 |
| InChI | InChI=1S/C24H40O4/c1-15(5-4-12-25)18-6-7-19-22-20(9-11-24(18,19)3)23(2)10-8-17(26)13-16(23)14-21(27)28-22/h15-20,22,25-26H,4-14H2,1-3H3/t15-,16+,17-,18?,19?,20?,22?,23+,24-/m1/s1 |
| InChIKey | AZEZRYWYRKBXLQ-WTDGGEGWSA-N |
| Molecular Weight | 392.580 g/mol |
| SMILES | [C@@]12(C(C3OC(C[C@]4([C@@](C3CC2)(CC[C@@](O)(C4)[H])C)[H])=O)CCC1[C@@](CCCO)(C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.939817 |