NSC283457
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Creator
US National Cancer Institute
Publication Date
2006-05-02Publisher
Unilever Center for Molecular Informatics, Cambridge University
Language
en_GB
Type
Chemical Structures
Metadata
Show full item recordIdentifiers
NSC283457
This record's URL: http://www.dspace.cam.ac.uk/handle/1810/158704
IUPAC Chemical Identifier (IChI): C55H60N6O19,1H3-19(54(73H)13H2-25-33(46H(17H2-54)79-50H-15H2-48H(56H2)52H(71H)44H(3H3)77-50)41(69H)31-29(39(25)67H)35(62)21-9H-7H-11H-23(75-5H3)27(21)37(31)64)58-60H-43(66)61H-59-20(2H3)55(74H)14H2-26-34(47H(18H2-55)80-51H-16H2-49H(57H2)53H(72H)45H(4H3)78-51)42(70H)32-30(40(26)68H)36(63)22-10H-8H-12H-24(76-6H3)28(22)38(32)65
IUPAC/NIST Chemical Identifier (INChI): InChI=1S/C55H60N6O19/c1-19-43(62)27(56)13-33(77-19)79-31-17-54(73,15-25-37(31)51(70)41-39(47(25)66)45(64)23-9-7-11-29(75-5)35(23)49(41)68)21(3)58-60-53(72)61-59-22(4)55(74)16-26-38(32(18-55)80-34-14-28(57)44(63)20(2)78-34)52(71)42-40(48(26)67)46(65)24-10-8-12-30(76-6)36(24)50(42)69/h7-12,19-20,27-28,31-34,43-44,62-63,66-67,70-71,73-74H,13-18,56-57H2,1-6H3,(H2,60,61,72)/b58-21+,59-22+/t19-,20-,27+,28+,31-,32-,33+,34+,43-,44-,54+,55+/m0/s1
IUPAC/NIST Chemical Identifier Key (INChI): BNFKBYULTTXLME-CMTFFSLZSA-N