NSC142999
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Creator
US National Cancer Institute
Publication Date
2006-01-12Publisher
Unilever Center for Molecular Informatics, Cambridge University
Language
en_GB
Type
Chemical Structures
Metadata
Show full item recordIdentifiers
NSC142999
This record's URL: http://www.dspace.cam.ac.uk/handle/1810/111677
IUPAC Chemical Identifier (IChI): C62H66O13S,1H3-76(63,64)75-60H-58H(69-41H2-50-31H-17H-6H-18H-32H-50)56H(54H(45H2-66-38H2-47-25H-11H-3H-12H-26H-47)72-61H(60)71-43H2-52-35H-21H-8H-22H-36H-52)74-62H-59H(70-42H2-51-33H-19H-7H-20H-34H-51)57H(68-40H2-49-29H-15H-5H-16H-30H-49)55H(67-39H2-48-27H-13H-4H-14H-28H-48)53H(73-62)44H2-65-37H2-46-23H-9H-2H-10H-24H-46
IUPAC/NIST Chemical Identifier (INChI): InChI=1S/C62H66O13S/c1-76(63,64)75-60-58(69-41-50-31-17-6-18-32-50)56(54(45-66-38-47-25-11-3-12-26-47)72-61(60)71-43-52-35-21-8-22-36-52)74-62-59(70-42-51-33-19-7-20-34-51)57(68-40-49-29-15-5-16-30-49)55(67-39-48-27-13-4-14-28-48)53(73-62)44-65-37-46-23-9-2-10-24-46/h2-36,53-62H,37-45H2,1H3/t53-,54-,55+,56-,57+,58-,59+,60+,61+,62-/m1/s1
IUPAC/NIST Chemical Identifier Key (INChI): SWJQRHQELRVRIZ-WGGQVSMLSA-N