| SpectraBase Compound ID | Hyj2n5SsHzv |
|---|---|
| InChI | InChI=1S/C26H42O2/c1-18(2)7-5-8-19(3)23-13-14-24-20(9-6-16-26(23,24)4)10-11-21-17-22(27)12-15-25(21)28/h10-11,18-19,22-24,27H,5-9,12-17H2,1-4H3/b20-10+,21-11-/t19-,22+,23-,24+,26-/m1/s1 |
| InChIKey | GBQBUXZDVCNURD-ICBZAPAXSA-N |
| Mol Weight | 386.6 g/mol |
| Molecular Formula | C26H42O2 |
| Exact Mass | 386.318481 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 | ZOEuAJXFdb |
|---|---|
| Name | (5Z)-10-oxo-19-nor-Cholecalciferol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 386.318480590 u |
| Formula | C26H42O2 |
| InChI | InChI=1S/C26H42O2/c1-18(2)7-5-8-19(3)23-13-14-24-20(9-6-16-26(23,24)4)10-11-21-17-22(27)12-15-25(21)28/h10-11,18-19,22-24,27H,5-9,12-17H2,1-4H3/b20-10+,21-11-/t19-,22+,23-,24+,26-/m1/s1 |
| InChIKey | GBQBUXZDVCNURD-ICBZAPAXSA-N |
| Molecular Weight | 386.620 g/mol |
| SMILES | [C@]12([C@](\C(=C\C=C/3C(=O)CC[C@@](C3)(O)[H])CCC1)(CC[C@@]2([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.93934 |