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4-ACETOXY-9-DEOXOIDIADIONE

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4-ACETOXY-9-DEOXOIDIADIONE
SpectraBase Compound ID J6MHOGNLbBE
InChI InChI=1S/C27H40O4/c1-20(2)17-26(29)18-23(5)12-8-10-21(3)9-7-11-22(4)13-14-27(31-24(6)28)25-15-16-30-19-25/h9,12-13,15-16,19-20,27H,7-8,10-11,14,17-18H2,1-6H3/b21-9+,22-13+,23-12+/t27-/m0/s1
InChIKey IRBWUUAXBAPQRQ-RWWDORIESA-N
Mol Weight 428.6 g/mol
Molecular Formula C27H40O4
Exact Mass 428.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KH1pl1AyEl4
Name 4-ACETOXY-9-DEOXOIDIADIONE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H40O4
InChI InChI=1S/C27H40O4/c1-20(2)17-26(29)18-23(5)12-8-10-21(3)9-7-11-22(4)13-14-27(31-24(6)28)25-15-16-30-19-25/h9,12-13,15-16,19-20,27H,7-8,10-11,14,17-18H2,1-6H3/b21-9+,22-13+,23-12+/t27-/m0/s1
InChIKey IRBWUUAXBAPQRQ-RWWDORIESA-N
Literature Reference Author J.R.RHO,H.S.LEE,H.J.SHIN,J.W.AHN,J.Y.KIM,C.J.SIM,J.SHIN
Literature Reference Citation J.NAT.PROD.,67,1748(2004)
Literature Reference DOI 10.1021/np040103l
Molecular Weight 428.612 g/mol
Solvent CDCl3
Source File Reference UWMZ6625