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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,

Compound with spectra: 4 NMR

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,
SpectraBase Compound ID EkbJreJQY7o
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-NCGCDJFJSA-N
Mol Weight 804.0 g/mol
Molecular Formula C44H69NO12
Exact Mass 803.481977 g/mol
Enantiomer InChIKey QJJXYPPXXYFBGM-BWHKSBFLSA-N

View Spectrum of 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,

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

View Spectrum of 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,

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

View Spectrum of 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,

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent C6D6

View Spectrum of 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,

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent C6D6
  • 8-EPITACROLIMUS;MINOR_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,
FK506;CIS
FK506;TRANS
ASCOMYCIN
31-O-DEMETHYL_FK506;MAJOR_ROTAMER
TRANS-FK-506
CIS-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
Synthesis and Characterization of an Epimer of Tacrolimus, an Immunosuppressive Drug Journal of Natural Products 2010

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