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XIAMENMYCIN-D;(2R,3S)-METHYL-3-HYDROXY-2-[(2S,3S)-3-HYDROXY-2-METHYL-2-(4-METHYLPENT-3-ENYL)-CHROMAN-6-CARBOXAMIDO]-BUTANOATE

View entire compound with spectra: 1 NMR

XIAMENMYCIN-D;(2R,3S)-METHYL-3-HYDROXY-2-[(2S,3S)-3-HYDROXY-2-METHYL-2-(4-METHYLPENT-3-ENYL)-CHROMAN-6-CARBOXAMIDO]-BUTANOATE
SpectraBase Compound ID BFvWUxhi6DY
InChI InChI=1S/C22H31NO6/c1-13(2)7-6-10-22(4)18(25)12-16-11-15(8-9-17(16)29-22)20(26)23-19(14(3)24)21(27)28-5/h7-9,11,14,18-19,24-25H,6,10,12H2,1-5H3,(H,23,26)/t14-,18+,19+,22+/m1/s1
InChIKey XUZVOJITPJGHEG-ARESOWRYSA-N
Mol Weight 405.49 g/mol
Molecular Formula C22H31NO6
Exact Mass 405.215138 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CMiLWYfYCiy
Name XIAMENMYCIN-D;(2R,3S)-METHYL-3-HYDROXY-2-[(2S,3S)-3-HYDROXY-2-METHYL-2-(4-METHYLPENT-3-ENYL)-CHROMAN-6-CARBOXAMIDO]-BUTANOATE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H31NO6
InChI InChI=1S/C22H31NO6/c1-13(2)7-6-10-22(4)18(25)12-16-11-15(8-9-17(16)29-22)20(26)23-19(14(3)24)21(27)28-5/h7-9,11,14,18-19,24-25H,6,10,12H2,1-5H3,(H,23,26)/t14-,18+,19+,22+/m1/s1
InChIKey XUZVOJITPJGHEG-ARESOWRYSA-N
Literature Reference Author Z.Y.YOU,Y.H.WANG,Z.G.ZHANG,M.J.XU,S.J.XIE,T.S.HAN,L.FENG,X.G .LI,J.XU
Literature Reference Citation MAR.DRUGS,11,4035(2013)
Literature Reference DOI 10.3390/md11104035
Molecular Weight 405.491 g/mol
Source File Reference UWBT6483