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(15R,16R)-(4alpha,8alpha,12alpha)-15-carboxy-13-isopropylatis-13-ene-17,18-dioic acid, cyclic 15,17-anhydride, methyl ester

View entire compound with spectra: 4 NMR, and 1 FTIR

(15R,16R)-(4alpha,8alpha,12alpha)-15-carboxy-13-isopropylatis-13-ene-17,18-dioic acid, cyclic 15,17-anhydride, methyl ester
SpectraBase Compound ID AsXZR0CkoLo
InChI InChI=1S/C25H34O5/c1-13(2)15-12-25-10-7-16-23(3,8-6-9-24(16,4)22(28)29-5)17(25)11-14(15)18-19(25)21(27)30-20(18)26/h12-14,16-19H,6-11H2,1-5H3/t14-,16+,17+,18+,19-,23-,24+,25-/m0/s1
InChIKey MDHKZLNRGUXUAV-LJQJTCANSA-N
Mol Weight 414.5 g/mol
Molecular Formula C25H34O5
Exact Mass 414.240624 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3LouGZ0pWcK
Name (15R,16R)-(4a,8a,12a)-15-CARBOXY-13-ISOPROPYLATIS-13-ENE-17,18-DIOIC ACID, CYCLIC 15,17-ANHYDRIDE, METHYL 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 C25H34O5
InChI InChI=1S/C25H34O5/c1-13(2)15-12-25-10-7-16-23(3,8-6-9-24(16,4)22(28)29-5)17(25)11-14(15)18-19(25)21(27)30-20(18)26/h12-14,16-19H,6-11H2,1-5H3/t14-,16+,17+,18+,19-,23-,24+,25-/m0/s1
InChIKey MDHKZLNRGUXUAV-LJQJTCANSA-N
Molecular Weight 414.55
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20