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RAPAMYCIN-42-[2-(4,5-DIMETHYLTHIAZOLIUM-3-YL)-ACETIC-ACID]-BROMIDE

Compound with spectra: 1 NMR

RAPAMYCIN-42-[2-(4,5-DIMETHYLTHIAZOLIUM-3-YL)-ACETIC-ACID]-BROMIDE
SpectraBase Compound ID 3njf87XRC8N
InChI InChI=1S/C58H87N2O14S.BrH/c1-34-18-14-13-15-19-35(2)48(69-10)30-44-23-21-40(7)58(68,74-44)55(65)56(66)60-25-17-16-20-45(60)57(67)73-49(31-46(61)36(3)27-39(6)53(64)54(71-12)52(63)38(5)26-34)37(4)28-43-22-24-47(50(29-43)70-11)72-51(62)32-59-33-75-42(9)41(59)8;/h13-15,18-19,27,33-34,36-38,40,43-45,47-50,53-54,64,68H,16-17,20-26,28-32H2,1-12H3;1H/q+1;/p-1/b15-13+,18-14+,35-19+,39-27+;/t34-,36-,37-,38-,40-,43+,44+,45+,47-,48+,49+,50-,53-,54+,58-;/m1./s1
InChIKey SJOBAFASIHUSNO-LLYSEJEHSA-M
Mol Weight 1148.3 g/mol
Molecular Formula C58H87BrN2O14S
Exact Mass 1146.50614 g/mol
Parent InChIKey TYXHAVSPURAWOV-TXAWRDLFSA-M
Enantiomer InChIKey SJOBAFASIHUSNO-MGTIJXMISA-M

View Spectrum of RAPAMYCIN-42-[2-(4,5-DIMETHYLTHIAZOLIUM-3-YL)-ACETIC-ACID]-BROMIDE

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
HOMOTEMSIROLIMUSE_B
CGTADGCBEXYWNE-KBMLHRMUSA-N
HOMOTEMSIROLIMUSE_C
HOMOTEMSIROLIMUSE_A
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,
FK506;TRANS
FK506;CIS
ASCOMYCIN
CIS-FK-506
TRANS-FK-506
Title Journal or Book Year
Selective Substitution of 31/42–OH in Rapamycin Guided by an in Situ IR Technique Molecules 2014
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