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STELLETTIN-H;(13E,15E,17E,22E,24E)-3-BETA-ACETOXY-12-OXOISOMALABARICA-13,15,17,22,24-PENTAEN-26-OIC-ACID
SpectraBase Compound ID DMDbAdIftHc
InChI InChI=1S/C32H44O5/c1-20(12-10-14-22(3)29(35)36)11-9-13-21(2)28-24(34)19-26-31(7)18-16-27(37-23(4)33)30(5,6)25(31)15-17-32(26,28)8/h9-14,25-27H,15-19H2,1-8H3,(H,35,36)/b12-10+,13-9+,20-11+,22-14+,28-21+/t25-,26-,27-,31-,32-/m0/s1
InChIKey XTFWFHCPBVMHAV-IIWQXAGOSA-N
Mol Weight 508.7 g/mol
Molecular Formula C32H44O5
Exact Mass 508.318875 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HHHyisUFu4o
Name STELLETTIN-I;(13Z,15E,17E,22E,24E)-3-BETA-ACETOXY-12-OXOISOMALABARICA-13,15,17,22,24-PENTAEN-26-OIC-ACID
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H44O5
InChI InChI=1S/C32H44O5/c1-20(12-10-14-22(3)29(35)36)11-9-13-21(2)28-24(34)19-26-31(7)18-16-27(37-23(4)33)30(5,6)25(31)15-17-32(26,28)8/h9-14,25-27H,15-19H2,1-8H3,(H,35,36)/b12-10+,13-9+,20-11+,22-14+,28-21+/t25-,26-,27-,31-,32-/m0/s1
InChIKey XTFWFHCPBVMHAV-IIWQXAGOSA-N
Literature Reference Author D.TASDEMIR,G.C.MANGALINDAN,G.P.CONCEPCION,S.M.VERBITSKI,S.RA BINDRAN,M.MIRANDA,M.
Literature Reference Citation J.NAT.PROD.,65,210(2002)
Literature Reference DOI 10.1021/np0104020
Molecular Weight 508.698 g/mol
Solvent CDCl3
Source File Reference UWSI2821