NSC144148
View / Open Files
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
NSC144148
This record's URL: http://www.dspace.cam.ac.uk/handle/1810/112626
IUPAC Chemical Identifier (IChI): C44H60N2O12,1H3-21-12H-11H-13H-35H(4H3)41H(53H)38H(7H3)42H(54H)39H(8H3)43H(57-23(3H3)47)37H(6H3)40H(55-10H3)14H-15H-56-44(9H3)33(48)27-25-26(29(50H)22(2H3)32(27)58-44)31(52H)28(45H-34(21)49)24(30(25)51H)20H2-46-18H2-16H2-36H(5H3)17H2-19H2-46
IUPAC/NIST Chemical Identifier (INChI): InChI=1S/C44H60N2O12/c1-21-14-17-46(18-15-21)20-29-34-39(52)32-31(38(29)51)33-41(27(7)37(32)50)58-44(9,42(33)53)56-19-16-30(55-10)24(4)40(57-28(8)47)26(6)36(49)25(5)35(48)22(2)12-11-13-23(3)43(54)45-34/h11-13,16,19,21-22,24-26,30,35-36,40,48-52H,14-15,17-18,20H2,1-10H3,(H,45,54)/b12-11+,19-16+,23-13+/t22-,24+,25-,26-,30+,35-,36-,40+,44-/m1/s1
IUPAC/NIST Chemical Identifier Key (INChI): KJJDTEBVOWHVKP-MVNYNINXSA-N