NSC143425
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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
NSC143425
This record's URL: http://www.dspace.cam.ac.uk/handle/1810/112127
IUPAC Chemical Identifier (IChI): C45H62N2O13,1H3-18H2-20H2-47(21H2-19H2-2H3)28(49)22H2-58-27-17H-26-33(53H)30-29(27)31-34(24(4H3)32(30)52H)60-45(10H3,35(31)50)57-16H-15H-41H(56-11H3)38H(7H3)44H(59-25(5H3)48)40H(9H3)43H(55H)39H(8H3)42H(54H)37H(6H3)14H-12H-13H-23(3H3)36(51)46H-26
IUPAC/NIST Chemical Identifier (INChI): InChI=1S/C45H62N2O13/c1-12-18-47(19-13-2)33(49)22-57-32-21-30-40(53)35-34(32)36-42(28(8)39(35)52)60-45(10,43(36)54)58-20-17-31(56-11)25(5)41(59-29(9)48)27(7)38(51)26(6)37(50)23(3)15-14-16-24(4)44(55)46-30/h14-17,20-21,23,25-27,31,37-38,41,50-53H,12-13,18-19,22H2,1-11H3,(H,46,55)/b15-14+,20-17+,24-16+/t23-,25+,26-,27-,31+,37-,38-,41+,45+/m1/s1
IUPAC/NIST Chemical Identifier Key (INChI): DFJCOSMHFZCSIH-ULFUFZKVSA-N