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JACARELHYPEROL_A
SpectraBase Compound ID EZrml3v4Ln7
InChI InChI=1S/C36H28O13/c1-35(2)10-9-13-20(49-35)11-17(38)22-25(40)15-6-8-19(28(43)31(15)47-29(13)22)45-33-24-21(46-34(33)36(3,4)44)12-18(39)23-26(41)14-5-7-16(37)27(42)30(14)48-32(23)24/h5-12,33-34,37-39,42-44H,1-4H3/t33-,34-/m1/s1
InChIKey TVTKQGIMDPXDNX-KKLWWLSJSA-N
Mol Weight 668.6 g/mol
Molecular Formula C36H28O13
Exact Mass 668.152991 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6fS0XoVGiBT
Name JACARELHYPEROL_A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H28O13
InChI InChI=1S/C36H28O13/c1-35(2)10-9-13-20(49-35)11-17(38)22-25(40)15-6-8-19(28(43)31(15)47-29(13)22)45-33-24-21(46-34(33)36(3,4)44)12-18(39)23-26(41)14-5-7-16(37)27(42)30(14)48-32(23)24/h5-12,33-34,37-39,42-44H,1-4H3/t33-,34-/m1/s1
InChIKey TVTKQGIMDPXDNX-KKLWWLSJSA-N
Literature Reference Author K.ISHIGURO,S.NAGATA,H.OKU,M.YAMAKI
Literature Reference Citation PLANTA.MED.,68,258(2002)
Literature Reference DOI 10.1055/s-2002-23125
Molecular Weight 668.611 g/mol
Solvent ACETONE-D6
Source File Reference UIAP1708