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(2S,3R,5S)-5-BENZYLOXYCARBONYLAMINO-2,3,6-TRIACERTOXY-4-[(S)-2-METHOXY-2-PHENYL-2-(TRIFLUOROMETHYL)-ACETOXY]-METHYL-HEXANOATE

View entire compound with spectra: 1 NMR

(2S,3R,5S)-5-BENZYLOXYCARBONYLAMINO-2,3,6-TRIACERTOXY-4-[(S)-2-METHOXY-2-PHENYL-2-(TRIFLUOROMETHYL)-ACETOXY]-METHYL-HEXANOATE
SpectraBase Compound ID 1H6l3KNrQ31
InChI InChI=1S/C31H34F3NO13/c1-18(36)44-17-23(35-29(41)45-16-21-12-8-6-9-13-21)24(25(46-19(2)37)26(27(39)42-4)47-20(3)38)48-28(40)30(43-5,31(32,33)34)22-14-10-7-11-15-22/h6-15,23-26H,16-17H2,1-5H3,(H,35,41)/t23-,24+,25+,26-,30?/m0/s1
InChIKey HTOODYINEZUTCT-HMDRIURXSA-N
Mol Weight 685.6 g/mol
Molecular Formula C31H34F3NO13
Exact Mass 685.198225 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6vy9ctiy6Fo
Name (2S,3R,5S)-5-BENZYLOXYCARBONYLAMINO-2,3,6-TRIACERTOXY-4-[(S)-2-METHOXY-2-PHENYL-2-(TRIFLUOROMETHYL)-ACETOXY]-METHYL-HEXANOATE
Compound Number 11A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H34F3NO13
InChI InChI=1S/C31H34F3NO13/c1-18(36)44-17-23(35-29(41)45-16-21-12-8-6-9-13-21)24(25(46-19(2)37)26(27(39)42-4)47-20(3)38)48-28(40)30(43-5,31(32,33)34)22-14-10-7-11-15-22/h6-15,23-26H,16-17H2,1-5H3,(H,35,41)/t23-,24+,25+,26-,30?/m0/s1
InChIKey HTOODYINEZUTCT-HMDRIURXSA-N
Literature Reference Author Y.NAGANO,K.IKEDO,A.FUJISHIMA,M.IZAWA,S.TSUBOTANI,O.NISHIMURA ,M.FUJINO
Literature Reference Citation J.ANTIBIOTICS,54,934(2001)
Literature Reference DOI 10.7164/antibiotics.54.934
Molecular Weight 685.605 g/mol
Solvent DMSO-D6
Source File Reference UWSI2466