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DOTHIDEOPYRONE-D
SpectraBase Compound ID IBUpCGcMKzr
InChI InChI=1S/C28H42O9/c1-5-7-9-11-13-21(29)25-15-23(33-3)19(27(31)36-25)17-35-18-20-24(34-4)16-26(37-28(20)32)22(30)14-12-10-8-6-2/h15-16,21-22,29-30H,5-14,17-18H2,1-4H3/t21-,22-/m0/s1
InChIKey SGRAZUPUHSLNRS-VXKWHMMOSA-N
Mol Weight 522.6 g/mol
Molecular Formula C28H42O9
Exact Mass 522.282883 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cx3zTjLFXqv
Name DOTHIDEOPYRONE-D
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H42O9
InChI InChI=1S/C28H42O9/c1-5-7-9-11-13-21(29)25-15-23(33-3)19(27(31)36-25)17-35-18-20-24(34-4)16-26(37-28(20)32)22(30)14-12-10-8-6-2/h15-16,21-22,29-30H,5-14,17-18H2,1-4H3/t21-,22-/m0/s1
InChIKey SGRAZUPUHSLNRS-VXKWHMMOSA-N
Literature Reference Author P.CHOMCHEON,S.WIYAKRUTTA,N.SRIUBOLMAS,N.NGAMROJANAVANICH,C.M AHIDOL,S.RUCHIRAWAT,
Literature Reference Citation PHYTOCHEM.,70,121(2009)
Literature Reference DOI 10.1016/j.phytochem.2008.10.007
Molecular Weight 522.636 g/mol
Sample ID 63939
Solvent CDCl3