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1,3,6-TRIHYDROXY-2-HYDROXYMETHYL-9,10-ANTHRAQUINONE-3-O-(6'-O-ACETYL)-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID E9RLVsDy0za
InChI InChI=1S/C23H22O12/c1-8(25)33-7-15-20(30)21(31)22(32)23(35-15)34-14-5-12-16(19(29)13(14)6-24)18(28)10-3-2-9(26)4-11(10)17(12)27/h2-5,15,20-24,26,29-32H,6-7H2,1H3/t15-,20-,21+,22-,23-/m1/s1
InChIKey ULHSDDHTXWHHDP-NOGCDZMRSA-N
Mol Weight 490.42 g/mol
Molecular Formula C23H22O12
Exact Mass 490.111126 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BeJV2220jV2
Name 1,3,6-TRIHYDROXY-2-HYDROXYMETHYL-9,10-ANTHRAQUINONE-3-O-(6'-O-ACETYL)-BETA-D-GLUCOPYRANOSIDE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H22O12
InChI InChI=1S/C23H22O12/c1-8(25)33-7-15-20(30)21(31)22(32)23(35-15)34-14-5-12-16(19(29)13(14)6-24)18(28)10-3-2-9(26)4-11(10)17(12)27/h2-5,15,20-24,26,29-32H,6-7H2,1H3/t15-,20-,21+,22-,23-/m1/s1
InChIKey ULHSDDHTXWHHDP-NOGCDZMRSA-N
Literature Reference Author J.T.FAN,B.KUANG,G.Z.ZENG,S.M.ZENG,C.J.JI,Y.M.ZHANG,N.H.TAN
Literature Reference Citation J.NAT.PROD.,74,2069(2011)
Literature Reference DOI 10.1021/np2002918
Molecular Weight 490.420 g/mol
Sample ID 39320
Solvent DMSO-D6