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(+)-(20-S)-20-O-LAUROYLPREGN-4-EN-3-ONE

View entire compound with spectra: 1 NMR

(+)-(20-S)-20-O-LAUROYLPREGN-4-EN-3-ONE
SpectraBase Compound ID 64jkECYXWC5
InChI InChI=1S/C33H54O3/c1-5-6-7-8-9-10-11-12-13-14-31(35)36-24(2)28-17-18-29-27-16-15-25-23-26(34)19-21-32(25,3)30(27)20-22-33(28,29)4/h23-24,27-30H,5-22H2,1-4H3/t24-,27-,28+,29-,30-,32-,33+/m0/s1
InChIKey RVHWGJAJTKFFGY-PFXBFCTPSA-N
Mol Weight 498.8 g/mol
Molecular Formula C33H54O3
Exact Mass 498.407296 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KzLcjWzhjkY
Name (+)-(20-S)-20-O-LAUROYLPREGN-4-EN-3-ONE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H54O3
InChI InChI=1S/C33H54O3/c1-5-6-7-8-9-10-11-12-13-14-31(35)36-24(2)28-17-18-29-27-16-15-25-23-26(34)19-21-32(25,3)30(27)20-22-33(28,29)4/h23-24,27-30H,5-22H2,1-4H3/t24-,27-,28+,29-,30-,32-,33+/m0/s1
InChIKey RVHWGJAJTKFFGY-PFXBFCTPSA-N
Literature Reference Author L.XIONG,M.ZHU,C.ZHU,S.LIN,Y.YANG,J.SHI
Literature Reference Citation J.NAT.PROD.,75,1160(2012)
Literature Reference DOI 10.1021/np300259s
Molecular Weight 498.790 g/mol
Sample ID 41185
Solvent CDCl3