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FK506;CIS

Compound with spectra: 1 NMR

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

View Spectrum of FK506;CIS

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
FK506;TRANS
8-EPITACROLIMUS;MAJOR_ROTAMER;(3-S,4-R,5-S,8-S,9-E,12-S,14-S,15-R,1-S,18-R,19-R,26A-S)-5,19-DIHYDROXY-14,16-DIMETHOXY-15,19-EPOXY-5,
ASCOMYCIN
31-O-DEMETHYL_FK506;MAJOR_ROTAMER
CIS-FK-506
TRANS-FK-506
22-DIHYDRO-FK-506
RAPAMYCIN-42-[2-(4,5-DIMETHYLTHIAZOLIUM-3-YL)-ACETIC-ACID]-BROMIDE
CGTADGCBEXYWNE-KBMLHRMUSA-N
HOMOTEMSIROLIMUSE_B
Title Journal or Book Year
Conformational Analysis of thecis- andtrans-Isomers of FK506 by NMR and Molecular Dynamics Helvetica Chimica Acta 1991

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