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3-BETA-ACETOXY-16-ALPHA-HYDROXY-LANOSTA-8,24(31)-DIENE-21-OIC-ACID-3,5,6-TRIMETHYL-PYRAZIN-2-METHYLESTER
SpectraBase Compound ID Bdpe4ff4chb
InChI InChI=1S/C41H62N2O5/c1-23(2)24(3)13-14-29(37(46)47-22-32-27(6)42-25(4)26(5)43-32)36-33(45)21-41(12)31-15-16-34-38(8,9)35(48-28(7)44)18-19-39(34,10)30(31)17-20-40(36,41)11/h23,29,33-36,45H,3,13-22H2,1-2,4-12H3/t29-,33+,34-,35-,36-,39+,40+,41-/m0/s1
InChIKey NTARWVFASAFYRJ-IOSLCQJPSA-N
Mol Weight 663.0 g/mol
Molecular Formula C41H62N2O5
Exact Mass 662.465873 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7e7NcOZrX1q
Name 3-BETA-ACETOXY-16-ALPHA-HYDROXY-LANOSTA-8,24(31)-DIENE-21-OIC-ACID-3,5,6-TRIMETHYL-PYRAZIN-2-METHYLESTER
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H62N2O5
InChI InChI=1S/C41H62N2O5/c1-23(2)24(3)13-14-29(37(46)47-22-32-27(6)42-25(4)26(5)43-32)36-33(45)21-41(12)31-15-16-34-38(8,9)35(48-28(7)44)18-19-39(34,10)30(31)17-20-40(36,41)11/h23,29,33-36,45H,3,13-22H2,1-2,4-12H3/t29-,33+,34-,35-,36-,39+,40+,41-/m0/s1
InChIKey NTARWVFASAFYRJ-IOSLCQJPSA-N
Literature Reference Author P.WANG,G.SHE,Y.YANG,Q.LI,H.ZHANG,J.LIU,Y.CAO,X.XU,H.LEI
Literature Reference Citation MOLECULES,17,4972(2012)
Literature Reference DOI 10.3390/molecules17054972
Molecular Weight 662.954 g/mol
Sample ID 1048
Solvent CDCl3