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13,14-ORTHO-BENZOQUINONE-GUTTIFERONE-E

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13,14-ORTHO-BENZOQUINONE-GUTTIFERONE-E
SpectraBase Compound ID AqcGzxCpp2b
InChI InChI=1S/C38H48O6/c1-22(2)11-13-27(25(7)8)20-37-21-28(15-12-23(3)4)36(9,10)38(35(37)44,18-17-24(5)6)34(43)31(33(37)42)32(41)26-14-16-29(39)30(40)19-26/h11-12,14,16-17,19,27-28,42H,7,13,15,18,20-21H2,1-6,8-10H3/t27-,28+,37+,38-/m1/s1
InChIKey GIEOFSDQVMTJFV-AKAMJVKKSA-N
Mol Weight 600.8 g/mol
Molecular Formula C38H48O6
Exact Mass 600.345089 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ExSBAdOUnRQ
Name 13,14-ORTHO-BENZOQUINONE-GUTTIFERONE-E
Compound Number 15B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H48O6
InChI InChI=1S/C38H48O6/c1-22(2)11-13-27(25(7)8)20-37-21-28(15-12-23(3)4)36(9,10)38(35(37)44,18-17-24(5)6)34(43)31(33(37)42)32(41)26-14-16-29(39)30(40)19-26/h11-12,14,16-17,19,27-28,42H,7,13,15,18,20-21H2,1-6,8-10H3/t27-,28+,37+,38-/m1/s1
InChIKey GIEOFSDQVMTJFV-AKAMJVKKSA-N
Literature Reference Author D.ROUX,H.A.HADI,S.THORET,D.GUENARD,O.THOISON,M.PAIS,T.SEVENE T
Literature Reference Citation J.NAT.PROD.,63,1070(2000)
Literature Reference DOI 10.1021/np0000872
Molecular Weight 600.796 g/mol
Solvent CDCl3