| SpectraBase Compound ID | 6bEWJd1pXFR |
|---|---|
| InChI | InChI=1S/C26H40O2/c1-17(6-5-7-18(2)27)22-10-11-23-21-9-8-19-16-20(28)12-14-25(19,3)24(21)13-15-26(22,23)4/h5,7-8,17,20-24,28H,6,9-16H2,1-4H3/b7-5+/t17-,20+,21+,22-,23+,24+,25+,26-/m1/s1 |
| InChIKey | VNMPOZPBVKWCQF-HMCXSTNTSA-N |
| Mol Weight | 384.6 g/mol |
| Molecular Formula | C26H40O2 |
| Exact Mass | 384.302831 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5qkYuvovVZ8 |
|---|---|
| Name | (23E)-3-beta-Hydroxy-27-nor-cholesta-5,23-dien-25-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.302830526 u |
| Formula | C26H40O2 |
| InChI | InChI=1S/C26H40O2/c1-17(6-5-7-18(2)27)22-10-11-23-21-9-8-19-16-20(28)12-14-25(19,3)24(21)13-15-26(22,23)4/h5,7-8,17,20-24,28H,6,9-16H2,1-4H3/b7-5+/t17-,20+,21+,22-,23+,24+,25+,26-/m1/s1 |
| InChIKey | VNMPOZPBVKWCQF-HMCXSTNTSA-N |
| Molecular Weight | 384.604 g/mol |
| SMILES | [C@@]1(O)(CC[C@]2(C(C1)=CC[C@@]1([C@@]2(CC[C@]2(C)[C@](CC[C@@]12[H])([C@](C)(C\C=C\C(=O)C)[H])[H])[H])[H])C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.917249 |