| SpectraBase Compound ID | 2OwYQSSei0o |
|---|---|
| InChI | InChI=1S/C35H58O5/c1-8-10-32(37)39-27-16-20-35(7)26(22-27)13-14-28-29(18-21-36)34(6,19-17-30(28)35)23-25(5)31(15-12-24(3)4)40-33(38)11-9-2/h21,23-24,26-31H,8-20,22H2,1-7H3/b25-23+/t26?,27-,28-,29-,30-,31-,34+,35-/m0/s1 |
| InChIKey | XYVJPUWZIOJKLS-MDULESNESA-N |
| Mol Weight | 558.8 g/mol |
| Molecular Formula | C35H58O5 |
| Exact Mass | 558.428425 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HO2VTZL8mx4 |
|---|---|
| Name | (E,22R)-3-BETA,22-DIBUTYRYLOXY-(16,17)-SECOCHOLEST-17(20)-ENE-16-CARBOXALDEHYDE |
| Compound Number | 18 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H58O5 |
| InChI | InChI=1S/C35H58O5/c1-8-10-32(37)39-27-16-20-35(7)26(22-27)13-14-28-29(18-21-36)34(6,19-17-30(28)35)23-25(5)31(15-12-24(3)4)40-33(38)11-9-2/h21,23-24,26-31H,8-20,22H2,1-7H3/b25-23+/t26?,27-,28-,29-,30-,31-,34+,35-/m0/s1 |
| InChIKey | XYVJPUWZIOJKLS-MDULESNESA-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 | 558.843 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS24021 |