| SpectraBase Compound ID | E5kyprzDcM9 |
|---|---|
| InChI | InChI=1S/C30H52O/c1-20(2)9-8-10-21(3)25-13-14-27-24-11-12-26-22(4)23(19-31-7)15-17-30(26,6)28(24)16-18-29(25,27)5/h19-22,24-28H,8-18H2,1-7H3/b23-19-/t21-,22-,24+,25-,26+,27+,28+,29-,30+/m1/s1 |
| InChIKey | DEEQCKKSLAUAKI-SDTIGPADSA-N |
| Mol Weight | 428.7 g/mol |
| Molecular Formula | C30H52O |
| Exact Mass | 428.401816 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 41UBfPQUJBN |
|---|---|
| Name | (Z)-3-Methoxymethylene-4.alpha.-methyl-5.alpha.-cholestane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 428.401816293 u |
| Formula | C30H52O |
| InChI | InChI=1S/C30H52O/c1-20(2)9-8-10-21(3)25-13-14-27-24-11-12-26-22(4)23(19-31-7)15-17-30(26,6)28(24)16-18-29(25,27)5/h19-22,24-28H,8-18H2,1-7H3/b23-19-/t21-,22-,24+,25-,26+,27+,28+,29-,30+/m1/s1 |
| InChIKey | DEEQCKKSLAUAKI-SDTIGPADSA-N |
| Molecular Weight | 428.745 g/mol |
| SMILES | [C@@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC[C@]2([C@](C)(\C(CC1)=C/OC)[H])[H])[H])C |