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(25R)-16-ACETOXY-4-CHOLESTEN-3,22-DIONE-26-AL
SpectraBase Compound ID 9fbpt63Gbdy
InChI InChI=1S/C29H42O5/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/h14,16-18,22-24,26-27H,6-13,15H2,1-5H3/t17-,18-,22-,23+,24+,26+,27+,28+,29+/m1/s1
InChIKey HSSRCYIIHXKJBN-MWYHTOLZSA-N
Mol Weight 470.7 g/mol
Molecular Formula C29H42O5
Exact Mass 470.303224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BZ1hSbjcyVv
Name (25R)-16-ACETOXY-4-CHOLESTEN-3,22-DIONE-26-AL
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H42O5
InChI InChI=1S/C29H42O5/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/h14,16-18,22-24,26-27H,6-13,15H2,1-5H3/t17-,18-,22-,23+,24+,26+,27+,28+,29+/m1/s1
InChIKey HSSRCYIIHXKJBN-MWYHTOLZSA-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 470.649 g/mol
Solvent CDCl3
Source File Reference UWBT8999