NSC143459
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Creator
US National Cancer Institute
Publication Date
2006-01-13Publisher
Unilever Center for Molecular Informatics, Cambridge University
Language
en_GB
Type
Chemical Structures
Metadata
Show full item recordIdentifiers
NSC143459
This record's URL: http://www.dspace.cam.ac.uk/handle/1810/112135
IUPAC Chemical Identifier (IChI): C42H52N2O13,1H3-17-13H-12H-14H-34H(5H3)39H(51H)36H(7H3)40H(52H)37H(8H3)41H(56-20(4H3)45)35H(6H3)38H(54-11H3)15H-16H-55-42(9H3)31(46)25-22-24(28(49H)18(2H3)30(25)57-42)29(50H)27(44H-32(17)47)23-21(33(48)53-10H3)19(3H3)43H-26(22)23
IUPAC/NIST Chemical Identifier (INChI): InChI=1S/C42H52N2O13/c1-17-13-12-14-18(2)40(51)44-32-28-26(41(52)54-11)23(7)43-31(28)27-29(36(32)49)35(48)22(6)38-30(27)39(50)42(9,57-38)55-16-15-25(53-10)19(3)37(56-24(8)45)21(5)34(47)20(4)33(17)46/h12-17,19-21,25,33-34,37,43,46-49H,1-11H3,(H,44,51)/b13-12+,16-15-,18-14+/t17-,19-,20-,21+,25-,33-,34+,37-,42-/m0/s1
IUPAC/NIST Chemical Identifier Key (INChI): ZPROAZLZFCYEOX-OGVQSXNASA-N