| SpectraBase Compound ID | 5q0hvwBGPoe |
|---|---|
| InChI | InChI=1S/C29H50O/c1-24(2)14-8-15-25(3)20(24)12-18-27(5)21(25)10-11-22-26(4)16-9-17-29(7,30)23(26)13-19-28(22,27)6/h20-23,30H,8-19H2,1-7H3/t20?,21-,22-,23-,25+,26-,27-,28-,29-/m1/s1 |
| InChIKey | ASFSHPBCSYGPKC-SOGZVXTASA-N |
| Mol Weight | 414.7 g/mol |
| Molecular Formula | C29H50O |
| Exact Mass | 414.386166 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L3CVM0tlSWw |
|---|---|
| Name | Hakonanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 414.386166229 u |
| Formula | C29H50O |
| InChI | InChI=1S/C29H50O/c1-24(2)14-8-15-25(3)20(24)12-18-27(5)21(25)10-11-22-26(4)16-9-17-29(7,30)23(26)13-19-28(22,27)6/h20-23,30H,8-19H2,1-7H3/t20?,21-,22-,23-,25+,26-,27-,28-,29-/m1/s1 |
| InChIKey | ASFSHPBCSYGPKC-SOGZVXTASA-N |
| Molecular Weight | 414.718 g/mol |
| SMILES | [C@@]12([C@]3([C@]([C@]4(CCC[C@]([C@@]4(CC3)[H])(O)C)C)([H])CC[C@@]1([C@]1(CCCC(C1CC2)(C)C)C)[H])C)C |