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2-[(9,11-dihydroxy-6-methyl-tetradecanoyl)-methyl-amino]-3-[4-(2-hydroxyethoxy)phenyl]propionic acid

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2-[(9,11-dihydroxy-6-methyl-tetradecanoyl)-methyl-amino]-3-[4-(2-hydroxyethoxy)phenyl]propionic acid
SpectraBase Compound ID 8roVlyfyVe8
InChI InChI=1S/C27H45NO7/c1-4-7-22(30)19-23(31)13-10-20(2)8-5-6-9-26(32)28(3)25(27(33)34)18-21-11-14-24(15-12-21)35-17-16-29/h11-12,14-15,20,22-23,25,29-31H,4-10,13,16-19H2,1-3H3,(H,33,34)
InChIKey ASSNQTOEQXYUIH-UHFFFAOYSA-N
Mol Weight 495.7 g/mol
Molecular Formula C27H45NO7
Exact Mass 495.319603 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DeMKFFSB1kH
Name 2-[(9,11-dihydroxy-6-methyl-tetradecanoyl)-methyl-amino]-3-[4-(2-hydroxyethoxy)phenyl]propionic acid
Compound Number 4,MINOR-ISOMER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H45NO7
InChI InChI=1S/C27H45NO7/c1-4-7-22(30)19-23(31)13-10-20(2)8-5-6-9-26(32)28(3)25(27(33)34)18-21-11-14-24(15-12-21)35-17-16-29/h11-12,14-15,20,22-23,25,29-31H,4-10,13,16-19H2,1-3H3,(H,33,34)
InChIKey ASSNQTOEQXYUIH-UHFFFAOYSA-N
Literature Reference Author T.SASAKI,H.NOSE,A.HOSOYA,S.YOSHIDA,M.KAWAGUCHI,T.WATANABE,T. USUI,Y.OHTSUKA,T.SHO
Literature Reference Citation J.ANTIBIOTICS,53,38(2000)
Literature Reference DOI 10.7164/antibiotics.53.38
Molecular Weight 495.657 g/mol
Solvent CD3OD
Source File Reference UWCS25388