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5'-METHYLTHIO-PYRAZOLO-[4',3':16,17]-ANDROST-5-EN-3-BETA-OL
SpectraBase Compound ID 7cd4SQBBMIw
InChI InChI=1S/C21H30N2OS/c1-20-8-6-13(24)10-12(20)4-5-14-16(20)7-9-21(2)17(14)11-15-18(21)22-23-19(15)25-3/h4,13-14,16-17,24H,5-11H2,1-3H3,(H,22,23)/t13-,14+,16-,17-,20-,21-/m0/s1
InChIKey QGWLSSULVLKSGQ-DYZLRIPNSA-N
Mol Weight 358.54 g/mol
Molecular Formula C21H30N2OS
Exact Mass 358.207885 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 49Z084ab8L6
Name 5'-METHYLTHIO-PYRAZOLO-[4',3':16,17]-ANDROST-5-EN-3-BETA-OL
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30N2OS
InChI InChI=1S/C21H30N2OS/c1-20-8-6-13(24)10-12(20)4-5-14-16(20)7-9-21(2)17(14)11-15-18(21)22-23-19(15)25-3/h4,13-14,16-17,24H,5-11H2,1-3H3,(H,22,23)/t13-,14+,16-,17-,20-,21-/m0/s1
InChIKey QGWLSSULVLKSGQ-DYZLRIPNSA-N
Literature Reference Author D.G.RIVERA,K.PESEKE,I.JOMARRON,A.MONTERO,R.MOLINA,F.COLL
Literature Reference Citation MOLECULES,8,444(2003)
Literature Reference DOI 10.3390/80500444
Molecular Weight 358.542 g/mol
Solvent CDCl3
Source File Reference UWMS5809