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11R*-ACETOXY-2-OXO-NEOClERODA-3,13-E-DIEN-15-OIC-ACID;11R*-ACETOXY-2-OXOKOLAVENIC-ACID
SpectraBase Compound ID 2xPIyWyv1br
InChI InChI=1S/C22H32O5/c1-13(10-20(25)26)9-19(27-16(4)23)22(6)14(2)7-8-21(5)15(3)11-17(24)12-18(21)22/h10-11,14,18-19H,7-9,12H2,1-6H3,(H,25,26)/b13-10+/t14-,18+,19+,21+,22+/m0/s1
InChIKey OGJIWAKJLZXQIS-HIEPNADMSA-N
Mol Weight 376.5 g/mol
Molecular Formula C22H32O5
Exact Mass 376.224974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9dewwbPSShN
Name 11R*-ACETOXY-2-OXO-NEOClERODA-3,13-E-DIEN-15-OIC-ACID;11R*-ACETOXY-2-OXOKOLAVENIC-ACID
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H32O5
InChI InChI=1S/C22H32O5/c1-13(10-20(25)26)9-19(27-16(4)23)22(6)14(2)7-8-21(5)15(3)11-17(24)12-18(21)22/h10-11,14,18-19H,7-9,12H2,1-6H3,(H,25,26)/b13-10+/t14-,18+,19+,21+,22+/m0/s1
InChIKey OGJIWAKJLZXQIS-HIEPNADMSA-N
Literature Reference Author P.M.OLIVEIRA,A.A.FERREIRA,D.SILVEIRA,R.B.ALVES,G.V.RODRIGUES ,V.P.EMERENCIANO,D.S
Literature Reference Citation J.NAT.PROD.,68,588(2005)
Literature Reference DOI 10.1021/np049827n
Molecular Weight 376.493 g/mol
Solvent CDCl3
Source File Reference UWMZ9604