John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=10dYLfAKjvj SpectraBase Spectrum ID=5y8sRpVMqXG

(accessed ).
17-BETA-HYDROXY-1'-H-5-ALPHA-ANDROST-2-ENO-[3.2-B]-PYRROLE
SpectraBase Compound ID 10dYLfAKjvj
InChI InChI=1S/C21H31NO/c1-20-9-7-17-15(16(20)5-6-19(20)23)4-3-14-11-18-13(8-10-22-18)12-21(14,17)2/h8,10,14-17,19,22-23H,3-7,9,11-12H2,1-2H3/t14-,15-,16-,17-,19-,20-,21-/m0/s1
InChIKey JEMIJUVBSYFKGH-DGWDJNBYSA-N
Mol Weight 313.49 g/mol
Molecular Formula C21H31NO
Exact Mass 313.240565 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5y8sRpVMqXG
Name 17-BETA-HYDROXY-1'-H-5-ALPHA-ANDROST-2-ENO-[3.2-B]-PYRROLE
Compound Number 1
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H31NO
InChI InChI=1S/C21H31NO/c1-20-9-7-17-15(16(20)5-6-19(20)23)4-3-14-11-18-13(8-10-22-18)12-21(14,17)2/h8,10,14-17,19,22-23H,3-7,9,11-12H2,1-2H3/t14-,15-,16-,17-,19-,20-,21-/m0/s1
InChIKey JEMIJUVBSYFKGH-DGWDJNBYSA-N
Literature Reference Author G.J.ELLAMES,D.JOHNSTON,D.I.SMITH
Literature Reference Citation J.HETCYCL.CHEM.,27,1091(1990)
Literature Reference DOI 10.1002/jhet.5570270451
Molecular Weight 313.483 g/mol
Solvent C5D5N
Source File Reference UWMZ1176
SpectraBase Batch ID 1hY8Rd2byW2