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CRATOXYARBOREQUINONE-A;2-[1''-[11-BENZOYL-14-O-GERANYL-12,16-DIHYDROXYPHENYL]-3''-METHYLBUTYL]-1,8-DIHYDROXY-3-METHOXY-6-METHYL-9,10-ANTHRACENEDIONE
SpectraBase Compound ID 7BCdQME6C9y
InChI InChI=1S/C44H46O9/c1-23(2)12-11-13-25(5)16-17-53-34-22-32(46)39(40(47)27-14-9-8-10-15-27)44(51)37(34)28(18-24(3)4)36-33(52-7)21-30-38(43(36)50)42(49)35-29(41(30)48)19-26(6)20-31(35)45/h8-10,12,14-16,19-22,24,28,45-46,50-51H,11,13,17-18H2,1-7H3/b25-16+
InChIKey RVMDRFGVGIPJRT-PCLIKHOPSA-N
Mol Weight 718.8 g/mol
Molecular Formula C44H46O9
Exact Mass 718.314183 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JFKZCg4OwlX
Name CRATOXYARBOREQUINONE-A;2-[1''-[11-BENZOYL-14-O-GERANYL-12,16-DIHYDROXYPHENYL]-3''-METHYLBUTYL]-1,8-DIHYDROXY-3-METHOXY-6-METHYL-9,10-ANTHRACENEDIONE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H46O9
InChI InChI=1S/C44H46O9/c1-23(2)12-11-13-25(5)16-17-53-34-22-32(46)39(40(47)27-14-9-8-10-15-27)44(51)37(34)28(18-24(3)4)36-33(52-7)21-30-38(43(36)50)42(49)35-29(41(30)48)19-26(6)20-31(35)45/h8-10,12,14-16,19-22,24,28,45-46,50-51H,11,13,17-18H2,1-7H3/b25-16+
InChIKey RVMDRFGVGIPJRT-PCLIKHOPSA-N
Literature Reference Author E.K.SEO,N.C.KIM,M.C.WANI,M.E.WALL,H.A.NAVARRO,J.P.BURGESS,K. KAWANISHI,L.B.S.KARD
Literature Reference Citation J.NAT.PROD.,65,299(2002)
Literature Reference DOI 10.1021/np010395f
Molecular Weight 718.844 g/mol
Solvent ACETONE-D6