| SpectraBase Compound ID | E8CIlIdJpde |
|---|---|
| InChI | InChI=1S/C28H46O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h16-17,19-20,22-26,29-30H,3,7-15H2,1-2,4-6H3/t19-,20+,22-,23+,24+,25-,26+,27-,28-/m1/s1 |
| InChIKey | OIIDKZLLYIUSKA-QJWLWZQMSA-N |
| Mol Weight | 414.7 g/mol |
| Molecular Formula | C28H46O2 |
| Exact Mass | 414.349781 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | y0rhZUTPYQ |
|---|---|
| Name | 24-Methylene-5-alpha-cholest-7-ene-3-beta,6-alpha-diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 414.349780719 u |
| Formula | C28H46O2 |
| InChI | InChI=1S/C28H46O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h16-17,19-20,22-26,29-30H,3,7-15H2,1-2,4-6H3/t19-,20+,22-,23+,24+,25-,26+,27-,28-/m1/s1 |
| InChIKey | OIIDKZLLYIUSKA-QJWLWZQMSA-N |
| Molecular Weight | 414.674 g/mol |
| SMILES | [C@@]1(O)(C=C2[C@@]([C@]3(CC[C@@](C[C@]13[H])(O)[H])C)(CC[C@]1([C@]2(CC[C@@]1([C@@](CCC(=C)C(C)C)(C)[H])[H])[H])C)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.874131 |