NSC56464

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Creator
US National Cancer Institute
Publication Date
2005-08-23
Alternative Title
Aconitine
ACONITINE
Publisher
Unilever Center for Molecular Informatics, Cambridge University
Language
en_GB
Type
Chemical Structures
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Citation
Unknown author (2005). NSC56464. [chemical structure]. http://www.dspace.cam.ac.uk/handle/1810/54152
Identifiers
NSC56464
This record's URL: http://www.dspace.cam.ac.uk/handle/1810/54152
IUPAC Chemical Identifier (IChI): C34H47NO11,1H3-12H2-35-15H2-31(16H2-41-3H3)21H(38H)13H2-22H(42-4H3)33-20H-14H2-32(40H)29H(45-19(37)18-10H-8H-7H-9H-11H-18)23H(20)34(46-17(2H3)36,28H(39H)30H(32)44-6H3)24H(27H(33)35)25H(43-5H3)26H(31)33
IUPAC/NIST Chemical Identifier (INChI): InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,31+,32-,33+,34-/m1/s1
IUPAC/NIST Chemical Identifier Key (INChI): XFSBVAOIAHNAPC-NPVHKAFCSA-N
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