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FK506;CIS
SpectraBase Compound ID 1TYrm6n93i6
InChI InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32?,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1
InChIKey QJJXYPPXXYFBGM-RGMZVGHXSA-N
Mol Weight 804.0 g/mol
Molecular Formula C44H69NO12
Exact Mass 803.481977 g/mol
Enantiomer InChIKey QJJXYPPXXYFBGM-SEDQTGEESA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
Conformational Analysis of the cis‐ and trans‐Isomers of FK506 by NMR and Molecular Dynamics Helvetica Chimica Acta 1991

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