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ANISOFOLIN-A-HEXAACETATE;APIGENIN-7-O-BETA-D-(3'',6''-DI-O-PARA-COUMAROYL)-GLUCOSIDE-HEXAACETATE
SpectraBase Compound ID 55RDhJZxn5z
InChI InChI=1S/C51H44O20/c1-27(52)62-36-15-7-33(8-16-36)11-21-45(59)61-26-44-48(66-31(5)56)49(71-46(60)22-12-34-9-17-37(18-10-34)63-28(2)53)50(67-32(6)57)51(70-44)68-39-23-42(65-30(4)55)47-40(58)25-41(69-43(47)24-39)35-13-19-38(20-14-35)64-29(3)54/h7-25,44,48-51H,26H2,1-6H3/b21-11+,22-12+/t44-,48-,49+,50-,51-/m1/s1
InChIKey DFGZNTLQDHQHHZ-ANSFNZFPSA-N
Mol Weight 976.9 g/mol
Molecular Formula C51H44O20
Exact Mass 976.242594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8tXToEKaarV
Name ANISOFOLIN-A-HEXAACETATE;APIGENIN-7-O-BETA-D-(3'',6''-DI-O-PARA-COUMAROYL)-GLUCOSIDE-HEXAACETATE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H44O20
InChI InChI=1S/C51H44O20/c1-27(52)62-36-15-7-33(8-16-36)11-21-45(59)61-26-44-48(66-31(5)56)49(71-46(60)22-12-34-9-17-37(18-10-34)63-28(2)53)50(67-32(6)57)51(70-44)68-39-23-42(65-30(4)55)47-40(58)25-41(69-43(47)24-39)35-13-19-38(20-14-35)64-29(3)54/h7-25,44,48-51H,26H2,1-6H3/b21-11+,22-12+/t44-,48-,49+,50-,51-/m1/s1
InChIKey DFGZNTLQDHQHHZ-ANSFNZFPSA-N
Literature Reference Author L.J.M.RAO,G.N.K.KUMARI,N.S.P.RAO
Literature Reference Citation HETEROCYCLES,19,1655(1982)
Literature Reference DOI 10.3987/R-1982-09-1655
Molecular Weight 976.898 g/mol
Solvent CDCl3
Source File Reference UWCS9338