| SpectraBase Compound ID | D214jmW9oDd |
|---|---|
| InChI | InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h18-19,21-22,24-26,29H,7-17H2,1-6H3/t19-,21+,22-,24+,25+,26+,27-,28+/m1/s1 |
| InChIKey | BWKFEXIGKBCPIS-XJLJMEKPSA-N |
| Mol Weight | 400.7 g/mol |
| Molecular Formula | C28H48O |
| Exact Mass | 400.370516 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | G7tHnjHMGlX |
|---|---|
| Name | Cholest-4-en-3-ol, 4-methyl-, (3.beta.)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 400.370516165 u |
| Formula | C28H48O |
| InChI | InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h18-19,21-22,24-26,29H,7-17H2,1-6H3/t19-,21+,22-,24+,25+,26+,27-,28+/m1/s1 |
| InChIKey | BWKFEXIGKBCPIS-XJLJMEKPSA-N |
| Molecular Weight | 400.691 g/mol |
| SMILES | [C@]1(CC[C@]2(C(=C1C)CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2([C@](C)(CCCC(C)C)[H])[H])[H])C)[H])[H])C)(O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938345 |