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PENTANDRANOIC-ACID-A;2-FORMYL-12-OXO-A-NORCLERODA-2,13(16)-DIEN-15-OIC-ACID
SpectraBase Compound ID SOPnqOQieP
InChI InChI=1S/C20H28O4/c1-12(8-18(23)24)16(22)10-20(5)13(2)6-7-19(4)14(3)15(11-21)9-17(19)20/h11,13,17H,1,6-10H2,2-5H3,(H,23,24)/t13-,17+,19+,20+/m1/s1
InChIKey GEYOTLVJLLCPMD-IKTSWFPUSA-N
Mol Weight 332.44 g/mol
Molecular Formula C20H28O4
Exact Mass 332.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1D8ioyPZgFb
Name PENTANDRANOIC-ACID-A;2-FORMYL-12-OXO-A-NORCLERODA-2,13(16)-DIEN-15-OIC-ACID
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-12(8-18(23)24)16(22)10-20(5)13(2)6-7-19(4)14(3)15(11-21)9-17(19)20/h11,13,17H,1,6-10H2,2-5H3,(H,23,24)/t13-,17+,19+,20+/m1/s1
InChIKey GEYOTLVJLLCPMD-IKTSWFPUSA-N
Literature Reference Author J.XU,L.J.HARRISON,J.J.VITTAL,Y.J.XU,S.H.GOH
Literature Reference Citation J.NAT.PROD.,63,1062(2000)
Literature Reference DOI 10.1021/np990584m
Molecular Weight 332.440 g/mol
Solvent CDCl3
Source File Reference UWRU7343