| SpectraBase Compound ID | EyNmvboniPF |
|---|---|
| InChI | InChI=1S/C30H50O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20,22-24H,9-19H2,1-8H3/t20-,22+,23-,24+,26+,27+,28-,29+,30-/m0/s1 |
| InChIKey | OFMXGFHWLZPCFL-SVRPQWSVSA-N |
| Mol Weight | 426.7 g/mol |
| Molecular Formula | C30H50O |
| Exact Mass | 426.386166 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1KjGVnA479w |
|---|---|
| Name | Friedelin;D:A-friedoolean-3-one |
| 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/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20,22-24H,9-19H2,1-8H3/t20-,22+,23-,24+,26+,27+,28-,29+,30-/m0/s1 |
| InChIKey | OFMXGFHWLZPCFL-SVRPQWSVSA-N |
| Molecular Weight | 426.729 g/mol |
| SMILES | C1(=O)CC[C@@]2([C@@]([C@]1(C)[H])(CC[C@]1([C@]2(CC[C@@]2([C@@]1(CC[C@@]1([C@]2(CC(CC1)(C)C)[H])C)C)C)C)[H])C)[H] |
| Spectrum/Structure Validation Score (Raman) | 0.987629 |