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3-BETA-OXO-FORMYL-7-BETA,12-BETA-DIHYDROXY-5-ALPHA-LANOST-11,15,23-TRIOXO-8-EN-(E)-26-OIC-ACID
SpectraBase Compound ID I2zBknWTk5T
InChI InChI=1S/C31H44O9/c1-15(10-17(33)11-16(2)27(38)39)18-12-21(35)31(7)23-19(34)13-20-28(3,4)22(40-14-32)8-9-29(20,5)24(23)25(36)26(37)30(18,31)6/h14-16,18-20,22,26,34,37H,8-13H2,1-7H3,(H,38,39)/t15-,16?,18+,19-,20-,22-,26+,29-,30-,31-/m0/s1
InChIKey IJDKXUJNVOPUEG-HHSQKXLFSA-N
Mol Weight 560.7 g/mol
Molecular Formula C31H44O9
Exact Mass 560.298533 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HunnktflPiw
Name 3-BETA-OXO-FORMYL-7-BETA,12-BETA-DIHYDROXY-5-ALPHA-LANOST-11,15,23-TRIOXO-8-EN-(E)-26-OIC-ACID
Compound Number 2 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H44O9
InChI InChI=1S/C31H44O9/c1-15(10-17(33)11-16(2)27(38)39)18-12-21(35)31(7)23-19(34)13-20-28(3,4)22(40-14-32)8-9-29(20,5)24(23)25(36)26(37)30(18,31)6/h14-16,18-20,22,26,34,37H,8-13H2,1-7H3,(H,38,39)/t15-,16?,18+,19-,20-,22-,26+,29-,30-,31-/m0/s1
InChIKey IJDKXUJNVOPUEG-HHSQKXLFSA-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 560.685 g/mol
Solvent CDCl3
Source File Reference UWLU81719