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

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(+)-(20-S)-20-O-CAPRYLOYLPREGN-4-EN-3-ONE
SpectraBase Compound ID BR9ZRfcCQXu
InChI InChI=1S/C29H46O3/c1-5-6-7-8-9-10-27(31)32-20(2)24-13-14-25-23-12-11-21-19-22(30)15-17-28(21,3)26(23)16-18-29(24,25)4/h19-20,23-26H,5-18H2,1-4H3/t20-,23-,24+,25-,26-,28-,29+/m0/s1
InChIKey QJRPJXPUPKLICH-YMOCYXAOSA-N
Mol Weight 442.7 g/mol
Molecular Formula C29H46O3
Exact Mass 442.344695 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C98YqMKcuuK
Name (+)-(20-S)-20-O-CAPRYLOYLPREGN-4-EN-3-ONE
Compound Number 1 0
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H46O3
InChI InChI=1S/C29H46O3/c1-5-6-7-8-9-10-27(31)32-20(2)24-13-14-25-23-12-11-21-19-22(30)15-17-28(21,3)26(23)16-18-29(24,25)4/h19-20,23-26H,5-18H2,1-4H3/t20-,23-,24+,25-,26-,28-,29+/m0/s1
InChIKey QJRPJXPUPKLICH-YMOCYXAOSA-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 442.682 g/mol
Sample ID 41187
Solvent CDCl3