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DIETHYL-3-ALPHA,7-ALPHA,12-ALPHA-TRIACETOXY-24-HYDROXY-5-BETA-CHOLESTANE-26,27-DIOATE;(EPIMER-#1)
SpectraBase Compound ID 36bTjRibKun
InChI InChI=1S/C37H58O11/c1-9-44-34(42)33(35(43)45-10-2)29(41)14-11-20(3)26-12-13-27-32-28(19-31(37(26,27)8)48-23(6)40)36(7)16-15-25(46-21(4)38)17-24(36)18-30(32)47-22(5)39/h20,24-33,41H,9-19H2,1-8H3/t20-,24+,25-,26-,27+,28+,29?,30-,31+,32+,36+,37-/m1/s1
InChIKey ATVOZPFKJSWIOD-SXJFZQTGSA-N
Mol Weight 678.9 g/mol
Molecular Formula C37H58O11
Exact Mass 678.397913 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 14R0B2oCBGZ
Name DIETHYL-3-ALPHA,7-ALPHA,12-ALPHA-TRIACETOXY-24-HYDROXY-5-BETA-CHOLESTANE-26,27-DIOATE;(EPIMER-#2)
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H58O11
InChI InChI=1S/C37H58O11/c1-9-44-34(42)33(35(43)45-10-2)29(41)14-11-20(3)26-12-13-27-32-28(19-31(37(26,27)8)48-23(6)40)36(7)16-15-25(46-21(4)38)17-24(36)18-30(32)47-22(5)39/h20,24-33,41H,9-19H2,1-8H3/t20-,24+,25-,26-,27+,28+,29?,30-,31+,32+,36+,37-/m1/s1
InChIKey ATVOZPFKJSWIOD-SXJFZQTGSA-N
Literature Reference Author R.G.AMIET,N.KALAFATIS,T.MACRIDES
Literature Reference Citation AUSTR.J.CHEM.,46,1347(1993)
Literature Reference DOI 10.1071/ch9931347
Molecular Weight 678.861 g/mol
Solvent CDCl3
Source File Reference UWTS3015