| SpectraBase Compound ID | 6WpeG3QTCvw |
|---|---|
| InChI | InChI=1S/C30H48O3/c1-23(2)12-8-13-24(3)14-9-15-25(4)16-10-19-29(6)28(17-11-21-31)27(26(5)22-32)18-20-30(29,7)33/h9,12,14,16,22,28,31,33H,3,8,10-11,13,15,17-21H2,1-2,4-7H3/b14-9+,25-16+,27-26-/t28-,29+,30+/m1/s1 |
| InChIKey | OXBLDNGNLIDETD-GHENCYPSSA-N |
| Mol Weight | 456.7 g/mol |
| Molecular Formula | C30H48O3 |
| Exact Mass | 456.360345 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HcRcXpcmOHz |
|---|---|
| Name | (6R,10S,11S)-17,29-Didehydroiridal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 456.360345403 u |
| Formula | C30H48O3 |
| InChI | InChI=1S/C30H48O3/c1-23(2)12-8-13-24(3)14-9-15-25(4)16-10-19-29(6)28(17-11-21-31)27(26(5)22-32)18-20-30(29,7)33/h9,12,14,16,22,28,31,33H,3,8,10-11,13,15,17-21H2,1-2,4-7H3/b14-9+,25-16+,27-26-/t28-,29+,30+/m1/s1 |
| InChIKey | OXBLDNGNLIDETD-GHENCYPSSA-N |
| Molecular Weight | 456.711 g/mol |
| SMILES | C(=O)\C(=C/1[C@]([C@@](CC\C=C\(C\C=C\C(=C)CCC=C(C)C)C)(C)[C@](CC1)(O)C)(CCCO)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960351 |