| SpectraBase Compound ID | 7MTLxpdTeTt |
|---|---|
| InChI | InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,15,21-22,24-26,31H,9,11-14,16-19H2,1-8H3/t21-,22-,24-,25?,26+,28-,29-,30+/m1/s1 |
| InChIKey | MLVSYGCURCOSKP-FMRPICADSA-N |
| Mol Weight | 426.7 g/mol |
| Molecular Formula | C30H50O |
| Exact Mass | 426.386166 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JEW7bLP90NN |
|---|---|
| Name | Parkeol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 426.386166229 u |
| Formula | C30H50O |
| InChI | InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,15,21-22,24-26,31H,9,11-14,16-19H2,1-8H3/t21-,22-,24-,25?,26+,28-,29-,30+/m1/s1 |
| InChIKey | MLVSYGCURCOSKP-FMRPICADSA-N |
| Molecular Weight | 426.729 g/mol |
| SMILES | C=12[C@@]3(C(C(C)(C)[C@](CC3)(O)[H])CC[C@]2([C@@]2(CC[C@@]([C@]2(CC1)C)([C@@](CCC=C(C)C)(C)[H])[H])C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.92036 |