John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=AoQtg66tgNZ SpectraBase Spectrum ID=1JtrLz26Bt8

(accessed ).
TIAMULIN;(4R,5S,6S,9AR,10R)-5-HYDROXY-4,6,9,10-TETRAMETHYL-1-OXO-6-VINYLDECAHO-3A,9-PROPANOCYLCLOPENTA-[8]-ANNULEN-8-YL-{[2-(DIETHYLAMINO)-ETHYL]-SULFANYL}-ACE
SpectraBase Compound ID AoQtg66tgNZ
InChI InChI=1S/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20-,22+,24?,25-,26+,27+,28-/m0/s1
InChIKey UURAUHCOJAIIRQ-LSSNIBRESA-N
Mol Weight 493.7 g/mol
Molecular Formula C28H47NO4S
Exact Mass 493.322581 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1JtrLz26Bt8
Name TIAMULIN;(4R,5S,6S,9AR,10R)-5-HYDROXY-4,6,9,10-TETRAMETHYL-1-OXO-6-VINYLDECAHO-3A,9-PROPANOCYLCLOPENTA-[8]-ANNULEN-8-YL-{[2-(DIETHYLAMINO)-ETHYL]-SULFANYL}-ACE
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H47NO4S
InChI InChI=1S/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20-,22+,24?,25-,26+,27+,28-/m0/s1
InChIKey UURAUHCOJAIIRQ-LSSNIBRESA-N
Literature Reference Author A.K.LYKKEBERG,C.CORNETT,B.HALLING-SORENSEN,S.H.HANSEN
Literature Reference Citation J.PHARM.BIOM.ANAL.,42,223(2006)
Literature Reference DOI 10.1016/j.jpba.2006.03.023
Molecular Weight 493.745 g/mol
Solvent D2O
Source File Reference UWDB57
SpectraBase Batch ID Ow4ueRIguo