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8-O-(3-[4-[N(ALPHA)-TERT.-BUTOXYCARBONYL-L-LEUCINOYLAMINO]-PHENYL]-PROPANOYL)-8-O-DEBUTANOYL-THAPSIGARGIN
SpectraBase Compound ID KvQmDztrfxV
InChI InChI=1S/C50H72N2O15/c1-13-15-16-17-18-19-36(54)63-41-39-38(30(6)40(41)64-44(57)29(5)14-2)42-50(61,49(12,60)45(58)65-42)35(27-48(39,11)66-31(7)53)62-37(55)25-22-32-20-23-33(24-21-32)51-43(56)34(26-28(3)4)52-46(59)67-47(8,9)10/h14,20-21,23-24,28,34-35,39-42,60-61H,13,15-19,22,25-27H2,1-12H3,(H,51,56)(H,52,59)/b29-14-/t34-,35-,39+,40-,41-,42-,48-,49+,50+/m0/s1
InChIKey KQRLGEXHJSJYNQ-FVBHKTRSSA-N
Mol Weight 941.1 g/mol
Molecular Formula C50H72N2O15
Exact Mass 940.49327 g/mol
Enantiomer InChIKey KQRLGEXHJSJYNQ-UFQDQOGXSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
Design, Synthesis, and Pharmacological Evaluation of Thapsigargin Analogues for Targeting Apoptosis to Prostatic Cancer Cells Journal of Medicinal Chemistry 2001
Unknown Identification

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