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4,4,14-ALPHA-TRIMETHYL-5-ALPHA-CHOL-7,9(11)-DIEN-3-OXO-24-OIC-ACID
SpectraBase Compound ID Gpn8RGxxQem
InChI InChI=1S/C27H40O3/c1-17(7-10-23(29)30)18-11-15-27(6)20-8-9-21-24(2,3)22(28)13-14-25(21,4)19(20)12-16-26(18,27)5/h8,12,17-18,21H,7,9-11,13-16H2,1-6H3,(H,29,30)/t17-,18-,21+,25-,26-,27+/m1/s1
InChIKey HAJDPRAOKXTNST-AGQYDPJMSA-N
Mol Weight 412.6 g/mol
Molecular Formula C27H40O3
Exact Mass 412.297745 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8lJjXPNxolV
Name 4,4,14-ALPHA-TRIMETHYL-5-ALPHA-CHOL-7,9(11)-DIEN-3-OXO-24-OIC-ACID
Compound Number 261
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H40O3
InChI InChI=1S/C27H40O3/c1-17(7-10-23(29)30)18-11-15-27(6)20-8-9-21-24(2,3)22(28)13-14-25(21,4)19(20)12-16-26(18,27)5/h8,12,17-18,21H,7,9-11,13-16H2,1-6H3,(H,29,30)/t17-,18-,21+,25-,26-,27+/m1/s1
InChIKey HAJDPRAOKXTNST-AGQYDPJMSA-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 412.613 g/mol
Solvent CDCl3
Source File Reference UWLU81910