NSC144112
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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
NSC144112
This record's URL: http://www.dspace.cam.ac.uk/handle/1810/112617
IUPAC Chemical Identifier (IChI): C41H56N2O12S,1H3-19-13H-12H-14H-33H(4H3)38H(50H)35H(6H3)39H(51H)36H(7H3)40H(54-21(3H3)44)34H(5H3)37H(52-11H3)15H-16H-53-41(8H3)31(45)24-22-23(26(47H)20(2H3)29(24)55-41)27(48H)25(42H-32(19)46)30(28(22)49H)56-18H2-17H2-43(9H3)10H3
IUPAC/NIST Chemical Identifier (INChI): InChI=1S/C41H56N2O12S/c1-19-13-12-14-20(2)40(51)42-30-34(48)28-27(35(49)38(30)56-18-16-43(9)10)29-37(24(6)33(28)47)55-41(8,39(29)50)53-17-15-26(52-11)21(3)36(54-25(7)44)23(5)32(46)22(4)31(19)45/h12-15,17,19,21-23,26,31-32,36,45-49H,16,18H2,1-11H3,(H,42,51)/b13-12+,17-15+,20-14+/t19-,21+,22-,23-,26+,31-,32-,36+,41-/m1/s1
IUPAC/NIST Chemical Identifier Key (INChI): ZXTMKQNPFLYOHJ-FXHOCNKGSA-N