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DIETHYL-3-ALPHA,7-ALPHA,12-ALPHA-TRIFORMYLOXY-24-OXO-5-BETA-CHOLESTANE-26,27-DIOATE;KETONE-FORM
SpectraBase Compound ID C81DVZzz8uC
InChI InChI=1S/C34H50O11/c1-6-41-31(39)30(32(40)42-7-2)26(38)11-8-20(3)23-9-10-24-29-25(16-28(45-19-37)34(23,24)5)33(4)13-12-22(43-17-35)14-21(33)15-27(29)44-18-36/h17-25,27-30H,6-16H2,1-5H3/t20-,21+,22-,23-,24+,25+,27-,28+,29+,33+,34-/m1/s1
InChIKey QEAYRXFATABDNB-KAFGSKCFSA-N
Mol Weight 634.8 g/mol
Molecular Formula C34H50O11
Exact Mass 634.335312 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6vdYefhbQp1
Name DIETHYL-3-ALPHA,7-ALPHA,12-ALPHA-TRIFORMYLOXY-24-OXO-5-BETA-CHOLESTANE-26,27-DIOATE;KETONE-FORM
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H50O11
InChI InChI=1S/C34H50O11/c1-6-41-31(39)30(32(40)42-7-2)26(38)11-8-20(3)23-9-10-24-29-25(16-28(45-19-37)34(23,24)5)33(4)13-12-22(43-17-35)14-21(33)15-27(29)44-18-36/h17-25,27-30H,6-16H2,1-5H3/t20-,21+,22-,23-,24+,25+,27-,28+,29+,33+,34-/m1/s1
InChIKey QEAYRXFATABDNB-KAFGSKCFSA-N
Literature Reference Author R.ADHIKARI,D.J.CUNDY,C.L.FRANCIS,M.GEBARA-COGHLAN,B.KRYWULT, C.LUBIN,G.W.SIMPSON,
Literature Reference Citation AUSTR.J.CHEM.,58,34(2005)
Literature Reference DOI 10.1071/CH04175
Molecular Weight 634.764 g/mol
Sample ID 28891
Solvent CDCl3