John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=Gy3VSsfzeB SpectraBase Spectrum ID=2bDP5oVt4iE

(accessed ).
(23R,25S)-3-BETA,26-DIACETOXY-16-BETA,23-EPOXY-5-BETA-CHOLEST-17-EN-22-ONE
SpectraBase Compound ID Gy3VSsfzeB
InChI InChI=1S/C31H46O6/c1-17(16-35-19(3)32)13-27-29(34)18(2)28-26(37-27)15-25-23-8-7-21-14-22(36-20(4)33)9-11-30(21,5)24(23)10-12-31(25,28)6/h17,21-27H,7-16H2,1-6H3/t17-,21+,22-,23+,24-,25-,26-,27+,30-,31-/m0/s1
InChIKey PMCWYPVWFAGIKU-VQYSASFBSA-N
Mol Weight 514.7 g/mol
Molecular Formula C31H46O6
Exact Mass 514.32944 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2bDP5oVt4iE
Name (23R,25S)-3-BETA,26-DIACETOXY-16-BETA,23-EPOXY-5-BETA-CHOLEST-17-EN-22-ONE
Compound Number 4
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H46O6
InChI InChI=1S/C31H46O6/c1-17(16-35-19(3)32)13-27-29(34)18(2)28-26(37-27)15-25-23-8-7-21-14-22(36-20(4)33)9-11-30(21,5)24(23)10-12-31(25,28)6/h17,21-27H,7-16H2,1-6H3/t17-,21+,22-,23+,24-,25-,26-,27+,30-,31-/m0/s1
InChIKey PMCWYPVWFAGIKU-VQYSASFBSA-N
Literature Reference Author Y.LOPEZ,L.RODRIGUEZ,R.E.DELRIO,N.FARFAN,J.W.MORZYCKI,R.SANTI LLAN
Literature Reference Citation STEROIDS,77,534(2012)
Literature Reference DOI 10.1016/j.steroids.2012.01.018
Molecular Weight 514.703 g/mol
Sample ID 70604
Solvent CDCl3
SpectraBase Batch ID 6CfoQlULWTi