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(+/-)-LAETIROBIN

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(+/-)-LAETIROBIN
SpectraBase Compound ID 3M8YK1DbXOR
InChI InChI=1S/C44H32O12/c1-18(45)26-7-22-10-38(53-35(22)14-31(26)49)25-5-6-44(40-11-23-8-27(19(2)46)32(50)15-36(23)54-40,41-12-24-9-28(20(3)47)33(51)16-37(24)55-41)42-30-13-29(21(4)48)34(52)17-39(30)56-43(25)42/h7-17,42,49-52H,5-6H2,1-4H3/t42-/m1/s1
InChIKey SGSHORQVHJQLLG-HUESYALOSA-N
Mol Weight 752.7 g/mol
Molecular Formula C44H32O12
Exact Mass 752.189376 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AbaiD1nkvSI
Name (+/-)-LAETIROBIN
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H32O12
InChI InChI=1S/C44H32O12/c1-18(45)26-7-22-10-38(53-35(22)14-31(26)49)25-5-6-44(40-11-23-8-27(19(2)46)32(50)15-36(23)54-40,41-12-24-9-28(20(3)47)33(51)16-37(24)55-41)42-30-13-29(21(4)48)34(52)17-39(30)56-43(25)42/h7-17,42,49-52H,5-6H2,1-4H3/t42-/m1/s1
InChIKey SGSHORQVHJQLLG-HUESYALOSA-N
Literature Reference Author M.J.LEAR,O.SIMON,T.L.FOLEY,M.D.BURKART,T.J.BAIGA,J.P.NOEL,A. G.DIPASQUALE,A.L.RHE
Literature Reference Citation J.NAT.PROD.,72,1980(2009)
Literature Reference DOI 10.1021/np9002838
Molecular Weight 752.731 g/mol
Sample ID 34083
Solvent CDCl3