| SpectraBase Compound ID | Lun5ShQRCWn |
|---|---|
| InChI | InChI=1S/C29H46O2/c1-19(2)9-8-10-20(3)23-11-12-24-22-18-27(31-7)26-17-21(30-6)13-15-29(26,5)25(22)14-16-28(23,24)4/h8-10,17,20-25,27H,11-16,18H2,1-7H3/b10-8+/t20-,21?,22+,23-,24+,25+,27?,28-,29-/m1/s1 |
| InChIKey | SQPOAVQMWVRRSF-BEIGUUPNSA-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 | 5jaRqEJSboM |
|---|---|
| Name | Cholesta-4,21,24-triene, 3,5-dimethoxy- |
| 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/c1-19(2)9-8-10-20(3)23-11-12-24-22-18-27(31-7)26-17-21(30-6)13-15-29(26,5)25(22)14-16-28(23,24)4/h8-10,17,20-25,27H,11-16,18H2,1-7H3/b10-8+/t20-,21?,22+,23-,24+,25+,27?,28-,29-/m1/s1 |
| InChIKey | SQPOAVQMWVRRSF-BEIGUUPNSA-N |
| Molecular Weight | 426.685 g/mol |
| SMILES | C1(CC[C@]2(C(=C1)C(C[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2([C@@](\C=C\C=C(C)C)(C)[H])[H])[H])C)[H])[H])OC)C)OC |