| SpectraBase Compound ID | B40VPSxCfEt |
|---|---|
| InChI | InChI=1S/C28H46O5/c1-8-20(3)26(31)32-18-23(17-29)33-25(30)16-19(2)12-14-27(6)22(5)13-15-28(7)21(4)10-9-11-24(27)28/h8,19,22-24,29H,4,9-18H2,1-3,5-7H3/b20-8+/t19?,22-,23-,24-,27+,28+/m0/s1 |
| InChIKey | KZFNEPWJRDGYJJ-QDFVSROOSA-N |
| Mol Weight | 462.7 g/mol |
| Molecular Formula | C28H46O5 |
| Exact Mass | 462.334525 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5LbgKDSVhrO |
|---|---|
| Name | Archidorin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 462.334524576 u |
| Formula | C28H46O5 |
| InChI | InChI=1S/C28H46O5/c1-8-20(3)26(31)32-18-23(17-29)33-25(30)16-19(2)12-14-27(6)22(5)13-15-28(7)21(4)10-9-11-24(27)28/h8,19,22-24,29H,4,9-18H2,1-3,5-7H3/b20-8+/t19?,22-,23-,24-,27+,28+/m0/s1 |
| InChIKey | KZFNEPWJRDGYJJ-QDFVSROOSA-N |
| Molecular Weight | 462.671 g/mol |
| SMILES | C(OC[C@@](OC(CC(CC[C@]1([C@]2([C@@](C(=C)CCC2)(CC[C@@]1(C)[H])C)[H])C)C)=O)(CO)[H])(\C(=C\C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959711 |