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8-O-(6-[N(ALPHA)-TERT.-BUTOXYCARBONYL-L-LEUCINOYLAMINO]-HEXANOYL)-8-O-DEBUTANOYL-THAPSIGARGIN
SpectraBase Compound ID 7A2fskhUM5A
InChI InChI=1S/C47H74N2O15/c1-13-15-16-17-19-23-34(52)60-38-36-35(29(6)37(38)61-41(54)28(5)14-2)39-47(58,46(12,57)42(55)62-39)32(26-45(36,11)63-30(7)50)59-33(51)22-20-18-21-24-48-40(53)31(25-27(3)4)49-43(56)64-44(8,9)10/h14,27,31-32,36-39,57-58H,13,15-26H2,1-12H3,(H,48,53)(H,49,56)/b28-14-/t31-,32-,36+,37-,38-,39-,45-,46+,47+/m0/s1
InChIKey MANUHOLHIBXAEC-XJCNRAPHSA-N
Mol Weight 907.1 g/mol
Molecular Formula C47H74N2O15
Exact Mass 906.50892 g/mol
Enantiomer InChIKey MANUHOLHIBXAEC-MFEURXHRSA-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
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