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3-Keto-4-etiocholenic acid
SpectraBase Compound ID GND6R0jMPR6
InChI InChI=1S/C20H28O3/c1-19-9-7-13(21)11-12(19)3-4-14-15-5-6-17(18(22)23)20(15,2)10-8-16(14)19/h11,14-17H,3-10H2,1-2H3,(H,22,23)/t14-,15-,16-,17+,19-,20-/m0/s1
InChIKey YQACAXHKQZCEOI-UDCWSGSHSA-N
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HfR0XalDHaz
Name ANDROST-4-ENE-3-ONE,13-BETA-CARBOXYLIC-ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-19-9-7-13(21)11-12(19)3-4-14-15-5-6-17(18(22)23)20(15,2)10-8-16(14)19/h11,14-17H,3-10H2,1-2H3,(H,22,23)/t14-,15-,16-,17+,19-,20-/m0/s1
InChIKey YQACAXHKQZCEOI-UDCWSGSHSA-N
Literature Reference Author H.L.HOLLAND,E.M.THOMAS
Literature Reference Citation CAN.J.CHEM.,60,160(1982)
Literature Reference DOI 10.1139/v82-027
Molecular Weight 316.441 g/mol
Solvent CDCl3
Source File Reference UWED2299