| SpectraBase Compound ID | HgzO4azaO63 |
|---|---|
| InChI | InChI=1S/C35H58O5/c1-8-10-31(37)39-25-16-18-34(6)24(20-25)13-14-26-27(34)17-19-35(7)28(26)21-30(40-32(38)11-9-2)33(35)23(5)29(36)15-12-22(3)4/h22,24-30,33,36H,5,8-21H2,1-4,6-7H3/t24?,25-,26+,27-,28-,29+,30-,33-,34-,35-/m0/s1 |
| InChIKey | GODQXMRECWROQU-NDWDWFHOSA-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 | g8y78AirFy |
|---|---|
| Name | (22S)-3-BETA,16-BETA-DIBUTYRYLOXYCHOLEST-20-EN-22-OL |
| Compound Number | 20 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H58O5 |
| InChI | InChI=1S/C35H58O5/c1-8-10-31(37)39-25-16-18-34(6)24(20-25)13-14-26-27(34)17-19-35(7)28(26)21-30(40-32(38)11-9-2)33(35)23(5)29(36)15-12-22(3)4/h22,24-30,33,36H,5,8-21H2,1-4,6-7H3/t24?,25-,26+,27-,28-,29+,30-,33-,34-,35-/m0/s1 |
| InChIKey | GODQXMRECWROQU-NDWDWFHOSA-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 | UWMS24022 |