NSC145636
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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
NSC145636
This record's URL: http://www.dspace.cam.ac.uk/handle/1810/113164
IUPAC Chemical Identifier (IChI): C42H54N2O12,1H3-18H2-43-17H-22-26-29(50H)24-23(27(22)46)25-30(20(3H3)28(24)49H)56-42(10H3,31(25)47)54-16H-15H-38H(53-11H3)34H(6H3)41H(55-21(4H3)45)36H(8H3)40H(52H)35H(7H3)39H(51H)33H(5H3)14H-12H-13H-19(2H3)32(48)44(26)37H(43)9H3
IUPAC/NIST Chemical Identifier (INChI): InChI=1S/C42H54N2O12/c1-12-43-18-27-32-37(50)30-29(36(27)49)31-39(24(7)35(30)48)56-42(10,40(31)51)54-17-16-28(53-11)21(4)38(55-26(9)45)23(6)34(47)22(5)33(46)19(2)14-13-15-20(3)41(52)44(32)25(43)8/h13-19,21-23,25,28,33-34,38,46-47H,12H2,1-11H3,(H2,48,50,51)/b14-13+,17-16-,20-15+/t19-,21+,22-,23-,25+,28+,33-,34-,38+,42-/m1/s1
IUPAC/NIST Chemical Identifier Key (INChI): FQLKQYSRUJEANF-KPYKZRNESA-N