| SpectraBase Compound ID | Kbeb918lagp |
|---|---|
| InChI | InChI=1S/C30H50O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h20-23H,9-19H2,1-8H3/t20-,21-,22+,23+,27-,28-,29-,30+/m0/s1 |
| InChIKey | MFVJCHSUSSRHRH-AIRAMVRTSA-N |
| Mol Weight | 426.7 g/mol |
| Molecular Formula | C30H50O |
| Exact Mass | 426.386166 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2w8ATiTGa3K |
|---|---|
| Name | 14Alpha-taraxeran-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 426.386166229 u |
| Formula | C30H50O |
| InChI | InChI=1S/C30H50O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h20-23H,9-19H2,1-8H3/t20-,21-,22+,23+,27-,28-,29-,30+/m0/s1 |
| InChIKey | MFVJCHSUSSRHRH-AIRAMVRTSA-N |
| Molecular Weight | 426.729 g/mol |
| SMILES | C1C[C@]2([C@](C(C1=O)(C)C)(CC[C@@]1([C@@]2(CC[C@@]2([C@]1(CC[C@@]1([C@]2(CC(CC1)(C)C)[H])C)[H])C)[H])C)[H])C |