| SpectraBase Compound ID | CebRSNf7wuo |
|---|---|
| InChI | InChI=1S/C29H50O2/c1-24(2)14-8-15-25(3)19(24)11-17-27(5)20(25)9-10-21-26(4)16-13-23(30)29(7,31)22(26)12-18-28(21,27)6/h19-23,30-31H,8-18H2,1-7H3/t19?,20?,21?,22?,23-,25-,26+,27+,28+,29-/m0/s1 |
| InChIKey | GZRWOTDTVHIODH-KATWECLHSA-N |
| Mol Weight | 430.7 g/mol |
| Molecular Formula | C29H50O2 |
| Exact Mass | 430.381081 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LYDqfK67IaF |
|---|---|
| Name | Hakonanediol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 430.381080848 u |
| Formula | C29H50O2 |
| InChI | InChI=1S/C29H50O2/c1-24(2)14-8-15-25(3)19(24)11-17-27(5)20(25)9-10-21-26(4)16-13-23(30)29(7,31)22(26)12-18-28(21,27)6/h19-23,30-31H,8-18H2,1-7H3/t19?,20?,21?,22?,23-,25-,26+,27+,28+,29-/m0/s1 |
| InChIKey | GZRWOTDTVHIODH-KATWECLHSA-N |
| Molecular Weight | 430.717 g/mol |
| SMILES | [C@@]12([C@]3(C([C@]4(CC[C@@]([C@](C4CC3)(O)C)(O)[H])C)CCC1[C@]1(CCCC(C1CC2)(C)C)C)C)C |