NSC142998
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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
NSC142998
This record's URL: http://www.dspace.cam.ac.uk/handle/1810/111676
IUPAC Chemical Identifier (IChI): C63H66O12,1H3-46(64)72-61H-59H(69-41H2-51-31H-17H-6H-18H-32H-51)57H(55H(45H2-66-38H2-48-25H-11H-3H-12H-26H-48)73-62H(61)71-43H2-53-35H-21H-8H-22H-36H-53)75-63H-60H(70-42H2-52-33H-19H-7H-20H-34H-52)58H(68-40H2-50-29H-15H-5H-16H-30H-50)56H(67-39H2-49-27H-13H-4H-14H-28H-49)54H(74-63)44H2-65-37H2-47-23H-9H-2H-10H-24H-47
IUPAC/NIST Chemical Identifier (INChI): InChI=1S/C63H66O12/c1-46(64)72-61-59(69-41-51-31-17-6-18-32-51)57(55(45-66-38-48-25-11-3-12-26-48)73-62(61)71-43-53-35-21-8-22-36-53)75-63-60(70-42-52-33-19-7-20-34-52)58(68-40-50-29-15-5-16-30-50)56(67-39-49-27-13-4-14-28-49)54(74-63)44-65-37-47-23-9-2-10-24-47/h2-36,54-63H,37-45H2,1H3/t54-,55-,56+,57-,58+,59+,60+,61+,62+,63-/m1/s1
IUPAC/NIST Chemical Identifier Key (INChI): PREAWORHRXJDOT-VMIIBZCNSA-N