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ATHROLIDE_E;1-S*,7-R*,10-(H)-R*-4-OXO-6-S*-(E)-3-METHYL-2-PENTENOYLOXY-8-S*-(3-HYDROXY-3-METHYLPENTANOYLOXY
SpectraBase Compound ID Dy3p56kdwmg
InChI InChI=1S/C27H36O8/c1-8-14(3)12-19(29)34-24-21-16(5)25(31)35-22(15(4)17-10-11-18(28)27(17,24)7)23(21)33-20(30)13-26(6,32)9-2/h10-12,15,17,21-24,32H,5,8-9,13H2,1-4,6-7H3/b14-12+/t15-,17-,21+,22+,23-,24+,26?,27-/m0/s1
InChIKey KCTDVWOWCJTSDH-SOSNGDSUSA-N
Mol Weight 488.6 g/mol
Molecular Formula C27H36O8
Exact Mass 488.241018 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BFjPsX6tXvD
Name ATHROLIDE_E;1-S*,7-R*,10-(H)-R*-4-OXO-6-S*-(E)-3-METHYL-2-PENTENOYLOXY-8-S*-(3-HYDROXY-3-METHYLPENTANOYLOXY
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H36O8
InChI InChI=1S/C27H36O8/c1-8-14(3)12-19(29)34-24-21-16(5)25(31)35-22(15(4)17-10-11-18(28)27(17,24)7)23(21)33-20(30)13-26(6,32)9-2/h10-12,15,17,21-24,32H,5,8-9,13H2,1-4,6-7H3/b14-12+/t15-,17-,21+,22+,23-,24+,26?,27-/m0/s1
InChIKey KCTDVWOWCJTSDH-SOSNGDSUSA-N
Literature Reference Author E.PAN,A.P.GORKA,J.N.ALUMASA,C.SLEBODNICK,L.HARINANTENAINA,P. J.BRODIE,P.D.ROEPE,R
Literature Reference Citation J.NAT.PROD.,74,2174(2011)
Literature Reference DOI 10.1021/np200499d
Molecular Weight 488.578 g/mol
Sample ID 39415
Solvent CDCl3