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(3-S,3'-R)-3-(4'-CARBOXY-3'-METHYLBUTANOYLOXY)-14-METHYLPENTADECANOIC_ACID

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(3-S,3'-R)-3-(4'-CARBOXY-3'-METHYLBUTANOYLOXY)-14-METHYLPENTADECANOIC_ACID
SpectraBase Compound ID 3PTK4kkRt65
InChI InChI=1S/C22H40O6/c1-17(2)12-10-8-6-4-5-7-9-11-13-19(16-21(25)26)28-22(27)15-18(3)14-20(23)24/h17-19H,4-16H2,1-3H3,(H,23,24)(H,25,26)/t18-,19-/m1/s1
InChIKey OUOLESHBQQRZFN-RTBURBONSA-N
Mol Weight 400.6 g/mol
Molecular Formula C22H40O6
Exact Mass 400.282489 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BNMIOxIXiNU
Name (3-S,3'-R)-3-(4'-CARBOXY-3'-METHYLBUTANOYLOXY)-14-METHYLPENTADECANOIC_ACID
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H40O6
InChI InChI=1S/C22H40O6/c1-17(2)12-10-8-6-4-5-7-9-11-13-19(16-21(25)26)28-22(27)15-18(3)14-20(23)24/h17-19H,4-16H2,1-3H3,(H,23,24)(H,25,26)/t18-,19-/m1/s1
InChIKey OUOLESHBQQRZFN-RTBURBONSA-N
Literature Reference Author M.IGARASHI,Y.TAKAHASHI,T.SHITARA,H.NAKAMURA,H.NAGANAWA,T.MIY AKE,Y.AKAMATSU
Literature Reference Citation J.ANTIBIOTICS,58,327(2005)
Literature Reference DOI 10.1038/ja.2005.41
Molecular Weight 400.556 g/mol
Sample ID 56
Solvent CDCl3