| SpectraBase Compound ID | 3hZqm2603tj |
|---|---|
| InChI | InChI=1S/C29H46O2/c1-20(2)7-6-8-21(3)24-11-12-25-23-10-9-22-19-29(30-17-18-31-29)16-15-27(22,4)26(23)13-14-28(24,25)5/h9-10,20-22,24,26H,6-8,11-19H2,1-5H3/t21-,22+,24-,26+,27+,28-/m1/s1 |
| InChIKey | HOTGAQDXWWZBSX-NKWZVXGZSA-N |
| Mol Weight | 426.7 g/mol |
| Molecular Formula | C29H46O2 |
| Exact Mass | 426.349781 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FZhf0pIJXVj |
|---|---|
| Name | 3,3-(Ethylenedioxy)-5.alpha.-cholesta-6,8(14)-diene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 426.349780719 u |
| Formula | C29H46O2 |
| InChI | InChI=1S/C29H46O2/c1-20(2)7-6-8-21(3)24-11-12-25-23-10-9-22-19-29(30-17-18-31-29)16-15-27(22,4)26(23)13-14-28(24,25)5/h9-10,20-22,24,26H,6-8,11-19H2,1-5H3/t21-,22+,24-,26+,27+,28-/m1/s1 |
| InChIKey | HOTGAQDXWWZBSX-NKWZVXGZSA-N |
| Molecular Weight | 426.685 g/mol |
| SMILES | C12=C3[C@]([C@]4(CCC5(C[C@@]4(C=C3)[H])OCCO5)C)([H])CC[C@@]1([C@@]([C@@](CCCC(C)C)(C)[H])(CC2)[H])C |