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12-BETA-ACETOXY-3-BETA-HYDROXY-7,11,15,23-TETRAOXO-LANOST-8,(20E)-DIENE-26-OIC-ACID
SpectraBase Compound ID C490SXKGghR
InChI InChI=1S/C32H42O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-23(37)32(8)24-20(35)14-21-29(4,5)22(36)9-10-30(21,6)25(24)26(38)27(31(19,32)7)41-17(3)33/h11,16,19,21-22,27,36H,9-10,12-14H2,1-8H3,(H,39,40)/b15-11+/t16?,19-,21+,22+,27-,30+,31+,32+/m1/s1
InChIKey NPQPGDYTXMOILM-BOAPTOANSA-N
Mol Weight 570.7 g/mol
Molecular Formula C32H42O9
Exact Mass 570.282883 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4BRaePLHVk5
Name 12-BETA-ACETOXY-3-BETA-HYDROXY-7,11,15,23-TETRAOXO-LANOST-8,(20E)-DIENE-26-OIC-ACID
Compound Number 85
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H42O9
InChI InChI=1S/C32H42O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-23(37)32(8)24-20(35)14-21-29(4,5)22(36)9-10-30(21,6)25(24)26(38)27(31(19,32)7)41-17(3)33/h11,16,19,21-22,27,36H,9-10,12-14H2,1-8H3,(H,39,40)/b15-11+/t16?,19-,21+,22+,27-,30+,31+,32+/m1/s1
InChIKey NPQPGDYTXMOILM-BOAPTOANSA-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 570.680 g/mol
Solvent CDCl3
Source File Reference UWLU81770