| SpectraBase Compound ID | 6cLRJvh9fNR |
|---|---|
| InChI | InChI=1S/C29H46O5/c1-17(16-30)6-9-25(33)18(2)27-26(34-19(3)31)15-24-22-8-7-20-14-21(32)10-12-28(20,4)23(22)11-13-29(24,27)5/h17-18,20,22-24,26-27,30H,6-16H2,1-5H3/t17-,18-,20?,22-,23+,24+,26+,27+,28+,29+/m1/s1 |
| InChIKey | FSHADNMFWIPBJR-BPFAFZNGSA-N |
| Mol Weight | 474.7 g/mol |
| Molecular Formula | C29H46O5 |
| Exact Mass | 474.334525 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AqG3FGcLePk |
|---|---|
| Name | (25R)-16-ACETOXY-26-HYDROXY-CHOLESTAN-3,22-DIONE |
| Compound Number | 22 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H46O5 |
| InChI | InChI=1S/C29H46O5/c1-17(16-30)6-9-25(33)18(2)27-26(34-19(3)31)15-24-22-8-7-20-14-21(32)10-12-28(20,4)23(22)11-13-29(24,27)5/h17-18,20,22-24,26-27,30H,6-16H2,1-5H3/t17-,18-,20?,22-,23+,24+,26+,27+,28+,29+/m1/s1 |
| InChIKey | FSHADNMFWIPBJR-BPFAFZNGSA-N |
| Literature Reference Author | A.PABON,G.ESCOBAR,E.VARGAS,V.CRUZ,R.NOTARIO,S.BLAIR,F.ECHEVE RRI |
| Literature Reference Citation | MOLECULES,18,3356(2013) |
| Literature Reference DOI | 10.3390/molecules18033356 |
| Molecular Weight | 474.681 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT9000 |