| SpectraBase Compound ID | 162SD2hfPyp |
|---|---|
| InChI | InChI=1S/C34H56O5/c1-8-38-31(36)30(32(37)39-9-2)29-20-24(35)19-23-13-14-25-27-16-15-26(22(5)12-10-11-21(3)4)33(27,6)18-17-28(25)34(23,29)7/h21-23,25-30H,8-20H2,1-7H3/t22-,23+,25+,26-,27+,28+,29-,33-,34+/m1/s1 |
| InChIKey | SQSXRCTXEBVRSX-ABROMUHZSA-N |
| Mol Weight | 544.8 g/mol |
| Molecular Formula | C34H56O5 |
| Exact Mass | 544.412775 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JutIbrI2ZT2 |
|---|---|
| Name | 1.alpha.-Dicarboethoxymethyl-5.alpha.-cholestan-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 544.412774898 u |
| Formula | C34H56O5 |
| InChI | InChI=1S/C34H56O5/c1-8-38-31(36)30(32(37)39-9-2)29-20-24(35)19-23-13-14-25-27-16-15-26(22(5)12-10-11-21(3)4)33(27,6)18-17-28(25)34(23,29)7/h21-23,25-30H,8-20H2,1-7H3/t22-,23+,25+,26-,27+,28+,29-,33-,34+/m1/s1 |
| InChIKey | SQSXRCTXEBVRSX-ABROMUHZSA-N |
| Molecular Weight | 544.817 g/mol |
| SMILES | C1(C[C@@]([C@]2([C@](C1)(CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])[H])[H])C)(C(C(OCC)=O)C(=O)OCC)[H])=O |