| SpectraBase Compound ID | 3hR2jRkSH25 |
|---|---|
| InChI | InChI=1S/C35H58O5/c1-8-10-30(36)37-24-15-18-32(5)23(20-24)12-13-25-26(32)16-19-33(6)27(25)21-28-31(33)34(7)29(14-11-22(3)4)39-35(38-28,40-34)17-9-2/h22-29,31H,8-21H2,1-7H3/t23?,24-,25+,26-,27-,28-,29+,31-,32-,33-,34-,35?/m0/s1 |
| InChIKey | ZRSGRZBOUNKFOZ-HFJJQPJUSA-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 | DH92wWFF6nz |
|---|---|
| Name | (20R,22R)-3-BETA-BUTYRYLOXYCHOLESTANE-16-BETA,20,22-ORTHOBUTYRATE |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H58O5 |
| InChI | InChI=1S/C35H58O5/c1-8-10-30(36)37-24-15-18-32(5)23(20-24)12-13-25-26(32)16-19-33(6)27(25)21-28-31(33)34(7)29(14-11-22(3)4)39-35(38-28,40-34)17-9-2/h22-29,31H,8-21H2,1-7H3/t23?,24-,25+,26-,27-,28-,29+,31-,32-,33-,34-,35?/m0/s1 |
| InChIKey | ZRSGRZBOUNKFOZ-HFJJQPJUSA-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 | CD3OD |
| Source File Reference | UWMS24027 |