NSC143439
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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
NSC143439
This record's URL: http://www.dspace.cam.ac.uk/handle/1810/112132
IUPAC Chemical Identifier (IChI): C45H60N2O13,1H3-21-13H-12H-14H-35H(4H3)42H(54H)39H(8H3)43H(55H)40H(9H3)44H(59-23(3H3)48)38H(7H3)41H(56-11H3)15H-16H-57-45(10H3)33(50)29-27-25(58-20H2-26(49)47-36H(5H3)18H2-19H2-37H(47)6H3)17H-24(46H-34(21)51)31(53H)28(27)30(52H)22(2H3)32(29)60-45
IUPAC/NIST Chemical Identifier (INChI): InChI=1S/C45H60N2O13/c1-21-13-12-14-22(2)44(55)46-30-19-32(57-20-33(49)47-23(3)15-16-24(47)4)34-35(40(30)53)39(52)28(8)42-36(34)43(54)45(10,60-42)58-18-17-31(56-11)25(5)41(59-29(9)48)27(7)38(51)26(6)37(21)50/h12-14,17-19,21,23-27,31,37-38,41,50-53H,15-16,20H2,1-11H3,(H,46,55)/b13-12+,18-17+,22-14+/t21-,23-,24-,25+,26-,27-,31+,37-,38-,41+,45+/m1/s1
IUPAC/NIST Chemical Identifier Key (INChI): MPPOEEMQNQXUON-BSDRORQVSA-N