| SpectraBase Compound ID | 5srCPcPXBCp |
|---|---|
| InChI | InChI=1S/C30H48O/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/h10,12,15,21-22,25-26,31H,9,11,13-14,16-19H2,1-8H3/t21-,22+,25+,26+,28-,29+,30-/m1/s1 |
| InChIKey | ZBFPGLKEWSMWSG-WZLOIPHISA-N |
| Mol Weight | 424.7 g/mol |
| Molecular Formula | C30H48O |
| Exact Mass | 424.370516 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CZc3G5dR2Ve |
|---|---|
| Name | Antiquol C |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 424.370516165 u |
| Formula | C30H48O |
| InChI | InChI=1S/C30H48O/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/h10,12,15,21-22,25-26,31H,9,11,13-14,16-19H2,1-8H3/t21-,22+,25+,26+,28-,29+,30-/m1/s1 |
| InChIKey | ZBFPGLKEWSMWSG-WZLOIPHISA-N |
| Molecular Weight | 424.713 g/mol |
| SMILES | C1=2C([C@]3(CC[C@@](C([C@@]3(CC2)[H])(C)C)(O)[H])C)=CC[C@@]2([C@@]1(CC[C@]2([C@@](CCC=C(C)C)(C)[H])[H])C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.929274 |