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4,4,14-ALPHA-TRIMETHYL-3,7-DIOXO-5-ALPHA-CHOL-8-EN-24-OIC-ACID
SpectraBase Compound ID 50PApQ4lClM
InChI InChI=1S/C27H40O4/c1-16(7-8-22(30)31)17-9-14-27(6)23-18(10-13-26(17,27)5)25(4)12-11-21(29)24(2,3)20(25)15-19(23)28/h16-17,20H,7-15H2,1-6H3,(H,30,31)/t16-,17-,20+,25-,26-,27+/m1/s1
InChIKey JTEXACAUXDMYDF-GAEDQJCFSA-N
Mol Weight 428.6 g/mol
Molecular Formula C27H40O4
Exact Mass 428.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9tqycF0RKxV
Name 4,4,14-ALPHA-TRIMETHYL-3,7-DIOXO-5-ALPHA-CHOL-8-EN-24-OIC-ACID
Compound Number 238
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H40O4
InChI InChI=1S/C27H40O4/c1-16(7-8-22(30)31)17-9-14-27(6)23-18(10-13-26(17,27)5)25(4)12-11-21(29)24(2,3)20(25)15-19(23)28/h16-17,20H,7-15H2,1-6H3,(H,30,31)/t16-,17-,20+,25-,26-,27+/m1/s1
InChIKey JTEXACAUXDMYDF-GAEDQJCFSA-N
Literature Reference Author Q.XIA,H.ZHANG,X.SUN,H.ZHAO,L.WU,D.ZHU,G.YANG,Y.SHAO,X.ZHANG, X.MAO,L.ZHANG,G.SHE
Literature Reference Citation MOLECULES,19,17478(2014)
Literature Reference DOI 10.3390/molecules191117478
Molecular Weight 428.612 g/mol
Solvent CDCl3
Source File Reference UWLU81897