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3,4-SECO-OLEAN-4(23),12-DIENE-3,29-DIOIC-ACID-DIMETHYLESTER
SpectraBase Compound ID B6F8ZlylwhB
InChI InChI=1S/C32H50O4/c1-21(2)22-12-15-32(7)25(30(22,5)14-13-26(33)35-8)11-10-23-24-20-29(4,27(34)36-9)17-16-28(24,3)18-19-31(23,32)6/h10,22,24-25H,1,11-20H2,2-9H3/t22-,24-,25?,28+,29+,30-,31+,32+/m0/s1
InChIKey JSHRFDZHZXZFHI-MUCNKHQGSA-N
Mol Weight 498.7 g/mol
Molecular Formula C32H50O4
Exact Mass 498.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8PBbyZETLtf
Name 3,4-SECO-OLEAN-4(23),12-DIENE-3,29-DIOIC-ACID-DIMETHYLESTER
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H50O4
InChI InChI=1S/C32H50O4/c1-21(2)22-12-15-32(7)25(30(22,5)14-13-26(33)35-8)11-10-23-24-20-29(4,27(34)36-9)17-16-28(24,3)18-19-31(23,32)6/h10,22,24-25H,1,11-20H2,2-9H3/t22-,24-,25?,28+,29+,30-,31+,32+/m0/s1
InChIKey JSHRFDZHZXZFHI-MUCNKHQGSA-N
Literature Reference Author I.MUHAMMAD,K.A.ELSAYED,J.S.MOSSA,M.S.AL-SAID,F.S.EL-FERALY,A .M.CLARK,C.D.HUFFORD
Literature Reference Citation J.NAT.PROD.,63,605(2000)
Literature Reference DOI 10.1021/np990456y
Molecular Weight 498.747 g/mol
Solvent CDCl3
Source File Reference UWRU5783