NSC269423
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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
NSC269423
This record's URL: http://www.dspace.cam.ac.uk/handle/1810/155344
IUPAC Chemical Identifier (IChI): C45H56N2O12,1H3-22-14H-13H-17H-37H(4H3)42H(54H)39H(6H3)43H(55H)40H(7H3)44H(58-24(3H3)48)38H(5H3)41H(56-9H3)18H-19H-57-45(8H3)35(49)29-27-28(31(51H)23(2H3)34(29)59-45)33(53H)30(47H-36(22)50)26(32(27)52H)21H2-46H-20H2-25-15H-11H-10H-12H-16H-25
IUPAC/NIST Chemical Identifier (INChI): InChI=1S/C45H56N2O12/c1-22-14-13-15-23(2)44(55)47-35-30(21-46-20-29-16-11-10-12-17-29)39(52)32-33(40(35)53)38(51)27(6)42-34(32)43(54)45(8,59-42)57-19-18-31(56-9)24(3)41(58-28(7)48)26(5)37(50)25(4)36(22)49/h10-19,22,24-26,31,36-37,41,46,49-53H,20-21H2,1-9H3,(H,47,55)/b14-13+,19-18+,23-15-/t22-,24+,25-,26-,31-,36-,37-,41+,45+/m1/s1
IUPAC/NIST Chemical Identifier Key (INChI): HHBUXHGNFGUEFR-MCAADCKTSA-N