| SpectraBase Compound ID | 7TeBBNNuzeC |
|---|---|
| InChI | InChI=1S/C38H64O4/c1-7-8-9-10-14-30-24-41-35(25-40-30)36(39)42-29-19-21-37(5)28(23-29)15-16-31-33-18-17-32(27(4)13-11-12-26(2)3)38(33,6)22-20-34(31)37/h15,26-27,29-35H,7-14,16-25H2,1-6H3/t27-,29?,30?,31+,32-,33+,34+,35?,37+,38-/m1/s1 |
| InChIKey | YBXIXZWIRISTOK-CWRKXIPASA-N |
| Mol Weight | 584.9 g/mol |
| Molecular Formula | C38H64O4 |
| Exact Mass | 584.480461 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EXpaywLvIfM |
|---|---|
| Name | Cholesteryl 5-hexyl-2,4-dioxane-2-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 584.480460537 u |
| Formula | C38H64O4 |
| InChI | InChI=1S/C38H64O4/c1-7-8-9-10-14-30-24-41-35(25-40-30)36(39)42-29-19-21-37(5)28(23-29)15-16-31-33-18-17-32(27(4)13-11-12-26(2)3)38(33,6)22-20-34(31)37/h15,26-27,29-35H,7-14,16-25H2,1-6H3/t27-,29?,30?,31+,32-,33+,34+,35?,37+,38-/m1/s1 |
| InChIKey | YBXIXZWIRISTOK-CWRKXIPASA-N |
| Molecular Weight | 584.926 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CCC(OC(C2OCC(OC2)CCCCCC)=O)C4)C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |