| SpectraBase Compound ID | ESay8SJTAg8 |
|---|---|
| InChI | InChI=1S/C30H52O/c1-20(19-31)21-11-16-27(4)22(21)12-17-29(6)24(27)9-10-25-28(5)15-8-14-26(2,3)23(28)13-18-30(25,29)7/h20-25,31H,8-19H2,1-7H3/t20?,21-,22+,23+,24-,25-,27+,28+,29-,30-/m1/s1 |
| InChIKey | JUVRJUWZCPMWHK-RCOVIKTCSA-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 | NnfO2w9gH4 |
|---|---|
| Name | 29-Hydroxy-17-beta-H-hopane |
| 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(19-31)21-11-16-27(4)22(21)12-17-29(6)24(27)9-10-25-28(5)15-8-14-26(2,3)23(28)13-18-30(25,29)7/h20-25,31H,8-19H2,1-7H3/t20?,21-,22+,23+,24-,25-,27+,28+,29-,30-/m1/s1 |
| InChIKey | JUVRJUWZCPMWHK-RCOVIKTCSA-N |
| Molecular Weight | 428.745 g/mol |
| SMILES | C(O)C([C@@]1([C@@]2(CC[C@]3([C@@]4(CC[C@]5(C(CCC[C@@]5([C@]4(CC[C@@]3([C@]2(CC1)C)[H])[H])C)(C)C)[H])C)C)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.914981 |