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CRATOXYXANTHONE

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CRATOXYXANTHONE
SpectraBase Compound ID 5hFbDIHw4cW
InChI InChI=1S/C48H50O13/c1-20(2)11-14-23-32-28(17-26(49)44(23)57-9)59-31-19-30-34(43(55)35(31)41(32)53)36(47(61-30)48(7,8)56)37-39(51)25(16-13-22(5)6)40(52)38-42(54)33-24(15-12-21(3)4)45(58-10)27(50)18-29(33)60-46(37)38/h11-13,17-19,36,47,49-52,55-56H,14-16H2,1-10H3/t36-,47+/m1/s1
InChIKey TXRIJCKIVJGAAY-OUCNJGTRSA-N
Mol Weight 834.9 g/mol
Molecular Formula C48H50O13
Exact Mass 834.325142 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EqsER8qC2Qt
Name CRATOXYXANTHONE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H50O13
InChI InChI=1S/C48H50O13/c1-20(2)11-14-23-32-28(17-26(49)44(23)57-9)59-31-19-30-34(43(55)35(31)41(32)53)36(47(61-30)48(7,8)56)37-39(51)25(16-13-22(5)6)40(52)38-42(54)33-24(15-12-21(3)4)45(58-10)27(50)18-29(33)60-46(37)38/h11-13,17-19,36,47,49-52,55-56H,14-16H2,1-10H3/t36-,47+/m1/s1
InChIKey TXRIJCKIVJGAAY-OUCNJGTRSA-N
Literature Reference Author A.R.HAN,J.A.KIM,D.D.LANTVIT,L.B.S.KARDONO,S.RISWAN,H.CHAI,E. J.C.DEBLANCO,N.R.FAR
Literature Reference Citation J.NAT.PROD.,72,2028(2009)
Literature Reference DOI 10.1021/np900517h
Molecular Weight 834.917 g/mol
Sample ID 34124
Solvent ACETONE-D6