| SpectraBase Compound ID | 8A2i8AsCZ5s |
|---|---|
| InChI | InChI=1S/C35H58O4/c1-8-11-31(36)38-26-17-19-34(6)25(21-26)15-16-27-28(34)18-20-35(7)29(27)22-30(39-32(37)12-9-2)33(35)24(5)14-10-13-23(3)4/h14,23,25-30,33H,8-13,15-22H2,1-7H3/b24-14+/t25?,26-,27+,28-,29-,30-,33-,34-,35-/m0/s1 |
| InChIKey | GSAOPPYCBIPVOX-FXSRKSCZSA-N |
| Mol Weight | 542.8 g/mol |
| Molecular Formula | C35H58O4 |
| Exact Mass | 542.43351 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LAutFPTiHZm |
|---|---|
| Name | (E)-3-BETA,16-BETA-DIBUTYRYLOXYCHOLEST-20(22)-ENE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H58O4 |
| InChI | InChI=1S/C35H58O4/c1-8-11-31(36)38-26-17-19-34(6)25(21-26)15-16-27-28(34)18-20-35(7)29(27)22-30(39-32(37)12-9-2)33(35)24(5)14-10-13-23(3)4/h14,23,25-30,33H,8-13,15-22H2,1-7H3/b24-14+/t25?,26-,27+,28-,29-,30-,33-,34-,35-/m0/s1 |
| InChIKey | GSAOPPYCBIPVOX-FXSRKSCZSA-N |
| Literature Reference Author | J.L.GINER,J.A.FARALDOS |
| Literature Reference Citation | J.ORG.CHEM.,67,2717(2002) |
| Literature Reference DOI | 10.1021/jo011111z |
| Molecular Weight | 542.843 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS24017 |