| SpectraBase Compound ID | ixt5eno6Lc |
|---|---|
| InChI | InChI=1S/C30H52O/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/h20-24,31H,9-19H2,1-8H3/t20-,21+,22+,23-,24+,26+,27+,28-,29+,30-/m0/s1 |
| InChIKey | XCDQFROEGGNAER-VYFOYESCSA-N |
| Mol Weight | 428.7 g/mol |
| Molecular Formula | C30H52O |
| Exact Mass | 428.401816 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JrZnRmEPd0H |
|---|---|
| Name | epi-Friedelanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 428.401816293 u |
| Formula | C30H52O |
| InChI | InChI=1S/C30H52O/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/h20-24,31H,9-19H2,1-8H3/t20-,21+,22+,23-,24+,26+,27+,28-,29+,30-/m0/s1 |
| InChIKey | XCDQFROEGGNAER-VYFOYESCSA-N |
| Molecular Weight | 428.745 g/mol |
| SMILES | [C@]1(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])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.895195 |