| SpectraBase Compound ID | Gkcx1zK0XfT |
|---|---|
| InChI | InChI=1S/C30H52O/c1-19(2)10-9-11-21(5)23-12-13-24-27-25(15-17-28(23,24)6)29(7)16-14-22(20(3)4)26(29)18-30(27,8)31/h19,21-27,31H,3,9-18H2,1-2,4-8H3/t21-,22-,23-,24+,25+,26?,27+,28-,29-,30-/m1/s1 |
| InChIKey | DLEXDKSYDBUONU-PRKXMCEBSA-N |
| Mol Weight | 428.7 g/mol |
| Molecular Formula | C30H52O |
| Exact Mass | 428.401816 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8JlXMku27NM |
|---|---|
| Name | 3-(Propen-2-yl)-4-nor-7-methylcholestan-7-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 428.401816293 u |
| Formula | C30H52O |
| InChI | InChI=1S/C30H52O/c1-19(2)10-9-11-21(5)23-12-13-24-27-25(15-17-28(23,24)6)29(7)16-14-22(20(3)4)26(29)18-30(27,8)31/h19,21-27,31H,3,9-18H2,1-2,4-8H3/t21-,22-,23-,24+,25+,26?,27+,28-,29-,30-/m1/s1 |
| InChIKey | DLEXDKSYDBUONU-PRKXMCEBSA-N |
| Molecular Weight | 428.745 g/mol |
| SMILES | [C@]12(C(C[C@]([C@]3([C@@]4(CC[C@@]([C@]4(CC[C@]23[H])C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H])(O)C)[C@@](C(=C)C)(CC1)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960431 |