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3-BETA-(HEXADEC-2-YNYL-SULFONYLMETHYL)-ANDROST-5,6-EPOXY-17-ONE;MAJOR-EPIMER
SpectraBase Compound ID 3Y4mHZPJ3W
InChI InChI=1S/C36H58O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-41(38,39)27-28-20-23-35(3)31-21-22-34(2)30(18-19-32(34)37)29(31)25-33-36(35,26-28)40-33/h28-31,33H,4-15,18-27H2,1-3H3/t28-,29-,30-,31-,33?,34-,35+,36?/m0/s1
InChIKey JZMOFALDTMRWGA-YHDSTRLXSA-N
Mol Weight 586.9 g/mol
Molecular Formula C36H58O4S
Exact Mass 586.405582 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7pJPltS1pN8
Name 3-BETA-(HEXADEC-2-YNYL-SULFONYLMETHYL)-ANDROST-5,6-EPOXY-17-ONE;MINOR-EPIMER
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H58O4S
InChI InChI=1S/C36H58O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-41(38,39)27-28-20-23-35(3)31-21-22-34(2)30(18-19-32(34)37)29(31)25-33-36(35,26-28)40-33/h28-31,33H,4-15,18-27H2,1-3H3/t28-,29-,30-,31-,33?,34-,35+,36?/m0/s1
InChIKey JZMOFALDTMRWGA-YHDSTRLXSA-N
Literature Reference Author J.R.WILLIAMS,J.C.BOEHM
Literature Reference Citation STEROIDS,60,699(1995)
Literature Reference DOI 10.1016/0039-128x(95)00094-7
Molecular Weight 586.914 g/mol
Source File Reference UWLU73881