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8-O-(3-[4-[L-LEUCINOYLAMINO]-PHENYL]-PROPANOYL)-8-O-DEBUTANOYL-THAPSIGARGIN
SpectraBase Compound ID 3owW6kebGfX
InChI InChI=1S/C45H64N2O13/c1-10-12-13-14-15-16-33(49)57-38-36-35(27(6)37(38)58-41(52)26(5)11-2)39-45(55,44(9,54)42(53)59-39)32(24-43(36,8)60-28(7)48)56-34(50)22-19-29-17-20-30(21-18-29)47-40(51)31(46)23-25(3)4/h11,17-18,20-21,25,31-32,36-39,54-55H,10,12-16,19,22-24,46H2,1-9H3,(H,47,51)/b26-11-/t31-,32-,36+,37-,38-,39-,43-,44+,45+/m0/s1
InChIKey MRZINLPIJUMGJF-AMURBKPFSA-N
Mol Weight 841.0 g/mol
Molecular Formula C45H64N2O13
Exact Mass 840.44084 g/mol
Enantiomer InChIKey MRZINLPIJUMGJF-FQQKICDDSA-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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