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3-EPI-PACHYMIC-ACID;3-ALPHA-ACETOXY-16-ALPHA-HYDROXY-24-METHYLENE-5-ALPHA-LANOST-8-EN-21-OIC-ACID
SpectraBase Compound ID JNDlbQSMCO2
InChI InChI=1S/C33H52O5/c1-19(2)20(3)10-11-22(29(36)37)28-25(35)18-33(9)24-12-13-26-30(5,6)27(38-21(4)34)15-16-31(26,7)23(24)14-17-32(28,33)8/h19,22,25-28,35H,3,10-18H2,1-2,4-9H3,(H,36,37)/t22-,25-,26+,27-,28+,31-,32-,33+/m1/s1
InChIKey VDYCLYGKCGVBHN-ROLXBSRMSA-N
Mol Weight 528.8 g/mol
Molecular Formula C33H52O5
Exact Mass 528.381475 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CGtN6uMdAbx
Name 3-EPI-PACHYMIC-ACID;3-ALPHA-ACETOXY-16-ALPHA-HYDROXY-24-METHYLENE-5-ALPHA-LANOST-8-EN-21-OIC-ACID
Compound Number 149
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H52O5
InChI InChI=1S/C33H52O5/c1-19(2)20(3)10-11-22(29(36)37)28-25(35)18-33(9)24-12-13-26-30(5,6)27(38-21(4)34)15-16-31(26,7)23(24)14-17-32(28,33)8/h19,22,25-28,35H,3,10-18H2,1-2,4-9H3,(H,36,37)/t22-,25-,26+,27-,28+,31-,32-,33+/m1/s1
InChIKey VDYCLYGKCGVBHN-ROLXBSRMSA-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 528.773 g/mol
Solvent C5D5N
Source File Reference UWLU81820