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(15S,16R)-(4alpha,8alpha,12alpha)-15-carboxy-13-isopropylatis-13-ene-17,18-dioic acid, trimethyl ester
SpectraBase Compound ID IL76hORVnnZ
InChI InChI=1S/C27H40O6/c1-15(2)17-14-27-12-9-18-25(3,10-8-11-26(18,4)24(30)33-7)19(27)13-16(17)20(22(28)31-5)21(27)23(29)32-6/h14-16,18-21H,8-13H2,1-7H3/t16-,18+,19+,20-,21-,25-,26+,27-/m0/s1
InChIKey JPLRBUFIJJAJFM-NBQNSTCXSA-N
Mol Weight 460.6 g/mol
Molecular Formula C27H40O6
Exact Mass 460.282489 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3OQ2afnFN5Z
Name (15S,16R)-(4a,8a,12a)-15-CARBOXY-13-ISOPROPYLATIS-13-ENE-17,18-DIOIC ACID, TRIMETHYL ESTER
Source of Sample E. Haslinger, University of Vienna, Vienna, Austria
Comments Tentative assignment; Some carbon atoms are unassigned
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H40O6
InChI InChI=1S/C27H40O6/c1-15(2)17-14-27-12-9-18-25(3,10-8-11-26(18,4)24(30)33-7)19(27)13-16(17)20(22(28)31-5)21(27)23(29)32-6/h14-16,18-21H,8-13H2,1-7H3/t16-,18+,19+,20-,21-,25-,26+,27-/m0/s1
InChIKey JPLRBUFIJJAJFM-NBQNSTCXSA-N
Molecular Weight 460.62
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20