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

View entire compound with spectra: 1 NMR

(+)-(20-S)-20-O-CAPRINOYLPREGN-4-EN-3-ONE
SpectraBase Compound ID CYUZRWL3RCz
InChI InChI=1S/C31H50O3/c1-5-6-7-8-9-10-11-12-29(33)34-22(2)26-15-16-27-25-14-13-23-21-24(32)17-19-30(23,3)28(25)18-20-31(26,27)4/h21-22,25-28H,5-20H2,1-4H3/t22-,25-,26+,27-,28-,30-,31+/m0/s1
InChIKey IDQCTDNBVHMVRL-DTOBCJOPSA-N
Mol Weight 470.7 g/mol
Molecular Formula C31H50O3
Exact Mass 470.375995 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Twc6qrbNW9
Name (+)-(20-S)-20-O-CAPRINOYLPREGN-4-EN-3-ONE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H50O3
InChI InChI=1S/C31H50O3/c1-5-6-7-8-9-10-11-12-29(33)34-22(2)26-15-16-27-25-14-13-23-21-24(32)17-19-30(23,3)28(25)18-20-31(26,27)4/h21-22,25-28H,5-20H2,1-4H3/t22-,25-,26+,27-,28-,30-,31+/m0/s1
InChIKey IDQCTDNBVHMVRL-DTOBCJOPSA-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 470.736 g/mol
Sample ID 41186
Solvent CDCl3