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PRINOIDIN-EMODIN-BIANTHRONE

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PRINOIDIN-EMODIN-BIANTHRONE
SpectraBase Compound ID 5ft9RhOsz4a
InChI InChI=1S/C40H36O14/c1-14-6-21-29(23-10-19(43)11-27(46)33(23)36(49)31(21)25(44)8-14)30-22-7-15(2)9-26(45)32(22)37(50)34-24(30)12-20(13-28(34)47)54-40-39(53-18(5)42)38(52-17(4)41)35(48)16(3)51-40/h6-13,16,29-30,35,38-40,43-48H,1-5H3/t16-,29?,30?,35-,38+,39-,40-/m0/s1
InChIKey YCLAFTNYHWAFCG-XBXBTREASA-N
Mol Weight 740.7 g/mol
Molecular Formula C40H36O14
Exact Mass 740.210506 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6YWMPdYjkJK
Name PRINOIDIN-EMODIN-BIANTHRONE
Compound Number 9A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H36O14
InChI InChI=1S/C40H36O14/c1-14-6-21-29(23-10-19(43)11-27(46)33(23)36(49)31(21)25(44)8-14)30-22-7-15(2)9-26(45)32(22)37(50)34-24(30)12-20(13-28(34)47)54-40-39(53-18(5)42)38(52-17(4)41)35(48)16(3)51-40/h6-13,16,29-30,35,38-40,43-48H,1-5H3/t16-,29?,30?,35-,38+,39-,40-/m0/s1
InChIKey YCLAFTNYHWAFCG-XBXBTREASA-N
Literature Reference Author L.P.MAI,F.GUERITTE,V.DUMONTET,M.V.TRI,B.HILL,O.THOISON,D.GUE NARD,T.SEVENET
Literature Reference Citation J.NAT.PROD.,64,1162(2001)
Literature Reference DOI 10.1021/np010030v
Molecular Weight 740.717 g/mol
Solvent CDCl3
Source File Reference UWSI1889