| SpectraBase Compound ID | FL11gdWFNGA |
|---|---|
| InChI | InChI=1S/C29H48O/c1-7-21(16-19(2)3)17-20(4)28(5)15-13-25-24-9-8-22-18-23(30)12-14-29(22,6)27(24)11-10-26(25)28/h8,19-21,23-24,27,30H,7,9-18H2,1-6H3/t20-,21-,23-,24-,27-,28-,29-/m0/s1 |
| InChIKey | PJWOASNVVKZWOY-COUZXQJZSA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C29H48O |
| Exact Mass | 412.370516 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EiSJriABwQU |
|---|---|
| Name | (17S,20S,23S)-23-Ethyl-17-methyl-18-norcholesta-5,13(14)-dien-3.beta.-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 412.370516165 u |
| Formula | C29H48O |
| InChI | InChI=1S/C29H48O/c1-7-21(16-19(2)3)17-20(4)28(5)15-13-25-24-9-8-22-18-23(30)12-14-29(22,6)27(24)11-10-26(25)28/h8,19-21,23-24,27,30H,7,9-18H2,1-6H3/t20-,21-,23-,24-,27-,28-,29-/m0/s1 |
| InChIKey | PJWOASNVVKZWOY-COUZXQJZSA-N |
| Molecular Weight | 412.702 g/mol |
| SMILES | C12=C([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](O)(C4)[H])C)[H])CC[C@]1([C@](C[C@](CC(C)C)(CC)[H])(C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.869941 |