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ESPELICIN
SpectraBase Compound ID 6S3x8e8zATe
InChI InChI=1S/C37H66O8/c1-3-4-10-15-29(38)17-13-14-19-32(41)34-23-25-36(45-34)35-24-22-33(44-35)31(40)18-12-9-7-5-6-8-11-16-30(39)21-20-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3
InChIKey ZKXOAFOXGFBQIH-UHFFFAOYSA-N
Mol Weight 638.9 g/mol
Molecular Formula C37H66O8
Exact Mass 638.475769 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K9ix3HzPsCm
Name ESPELICIN
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H66O8
InChI InChI=1S/C37H66O8/c1-3-4-10-15-29(38)17-13-14-19-32(41)34-23-25-36(45-34)35-24-22-33(44-35)31(40)18-12-9-7-5-6-8-11-16-30(39)21-20-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3
InChIKey ZKXOAFOXGFBQIH-UHFFFAOYSA-N
Literature Reference Author S.RAYNAUD,C.FOURNEAU,R.HOCQUEMILLER,T.SEVENET,H.A.HADI,A.CAV E
Literature Reference Citation PHYTOCHEM.,46,321(1997)
Literature Reference DOI 10.1016/s0031-9422(97)00283-5
Molecular Weight 638.926 g/mol
Sample ID 44849
Solvent CDCl3