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(-)-(3-R,4-S,5-S,17-R,20-R)-3,17,20-TRIHYDROXY-4-METHYLPREGN-8-EN-7-ONE

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(-)-(3-R,4-S,5-S,17-R,20-R)-3,17,20-TRIHYDROXY-4-METHYLPREGN-8-EN-7-ONE
SpectraBase Compound ID DoOUZZU075G
InChI InChI=1S/C22H34O4/c1-12-16-11-18(25)19-14(20(16,3)8-7-17(12)24)5-9-21(4)15(19)6-10-22(21,26)13(2)23/h12-13,15-17,23-24,26H,5-11H2,1-4H3/t12-,13+,15-,16-,17+,20+,21-,22-/m0/s1
InChIKey MHAYDOHKEQXCEG-GLVQIBCTSA-N
Mol Weight 362.5 g/mol
Molecular Formula C22H34O4
Exact Mass 362.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LUV54rvK7fD
Name (-)-(3-R,4-S,5-S,17-R,20-R)-3,17,20-TRIHYDROXY-4-METHYLPREGN-8-EN-7-ONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H34O4
InChI InChI=1S/C22H34O4/c1-12-16-11-18(25)19-14(20(16,3)8-7-17(12)24)5-9-21(4)15(19)6-10-22(21,26)13(2)23/h12-13,15-17,23-24,26H,5-11H2,1-4H3/t12-,13+,15-,16-,17+,20+,21-,22-/m0/s1
InChIKey MHAYDOHKEQXCEG-GLVQIBCTSA-N
Literature Reference Author X.WU,S.LIN,C.ZHU,Z.YUE,Y.YU,F.ZHAO,B.LIU,J.DAI,J.SHI
Literature Reference Citation J.NAT.PROD.,73,1294(2010)
Literature Reference DOI 10.1021/np100216k
Molecular Weight 362.510 g/mol
Sample ID 36482
Solvent CD3OD