| SpectraBase Compound ID | 6TmQERTdNIR |
|---|---|
| InChI | InChI=1S/C28H40O5/c1-18(9-10-20-15-21(31-7)14-19(2)24(20)29)13-22-16-26(5)11-8-12-27(26,6)28(30,32-22)17-23-25(3,4)33-23/h9,14-16,23,29-30H,8,10-13,17H2,1-7H3/b18-9+/t23?,26-,27-,28-/m1/s1 |
| InChIKey | BXTGGRXRZJVAIL-PNNFBKSSSA-N |
| Mol Weight | 456.6 g/mol |
| Molecular Formula | C28H40O5 |
| Exact Mass | 456.287574 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KdIuLnRPi2k |
|---|---|
| Name | Strictaepoxide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 456.287574383 u |
| Formula | C28H40O5 |
| InChI | InChI=1S/C28H40O5/c1-18(9-10-20-15-21(31-7)14-19(2)24(20)29)13-22-16-26(5)11-8-12-27(26,6)28(30,32-22)17-23-25(3,4)33-23/h9,14-16,23,29-30H,8,10-13,17H2,1-7H3/b18-9+/t23?,26-,27-,28-/m1/s1 |
| InChIKey | BXTGGRXRZJVAIL-PNNFBKSSSA-N |
| Molecular Weight | 456.623 g/mol |
| SMILES | [C@@]1([C@]2([C@@](CCC2)(C)C=C(O1)C\C(=C\CC=1C(=C(C)C=C(C1)OC)O)C)C)(CC1OC1(C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.836914 |