| SpectraBase Compound ID | H6xWwOotON2 |
|---|---|
| InChI | InChI=1S/C30H52O2/c1-25(2)14-9-15-28(6)23-11-10-22-27(5)16-12-19(26(3,4)32)20(27)13-17-29(22,7)30(23,8)18-21(31)24(25)28/h19-24,31-32H,9-18H2,1-8H3/t19-,20-,21-,22+,23+,24-,27-,28+,29+,30+/m0/s1 |
| InChIKey | KYBLAIAGFNCVHL-PMVHANJISA-N |
| Mol Weight | 444.7 g/mol |
| Molecular Formula | C30H52O2 |
| Exact Mass | 444.396731 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3YQa4dgFKp1 |
|---|---|
| Name | Hopane-6-alpha,22-diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 444.396730912 u |
| Formula | C30H52O2 |
| InChI | InChI=1S/C30H52O2/c1-25(2)14-9-15-28(6)23-11-10-22-27(5)16-12-19(26(3,4)32)20(27)13-17-29(22,7)30(23,8)18-21(31)24(25)28/h19-24,31-32H,9-18H2,1-8H3/t19-,20-,21-,22+,23+,24-,27-,28+,29+,30+/m0/s1 |
| InChIKey | KYBLAIAGFNCVHL-PMVHANJISA-N |
| Molecular Weight | 444.744 g/mol |
| SMILES | [C@]1(O)([C@@]2([C@@]([C@@]3([C@]([C@]4([C@]([C@]5(CC[C@@]([C@@]5(CC4)[H])(C(O)(C)C)[H])C)([H])CC3)C)(C1)C)[H])(CCCC2(C)C)C)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948214 |