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Substance Name: NSC 165166
RN: 51707-11-0
InChIKey: FTXMPGMBARZGMX-KACHRPFDSA-N

Molecular Formula

  • C45-H54-N4-O13

Molecular Weight

  • 858.9366
 
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Names and Synonyms

Results Name

  • NSC 165166

Synonym

  • NSC165166

Systematic Name

  • Benzoic acid, 4-amino-, 2-((1E)-((2S,16S,17S,18R,19R,20R,21S,22R,23S)-21-(acetyloxy)-1,2-dihydro-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-2,7-(epoxy(1,11,13)pentadecatrienoimino)naphtho(2,1-b)furan-8-yl)methylidene)hydrazide

Registry Numbers

CAS Registry Number

  • 51707-11-0

System Generated Number

  • 0051707110

Structure Descriptors

InChI

1S/C45H54N4O13/c1-20-11-10-12-21(2)43(57)48-34-29(19-47-49-44(58)27-13-15-28(46)16-14-27)38(54)31-32(39(34)55)37(53)25(6)41-33(31)42(56)45(8,62-41)60-18-17-30(59-9)22(3)40(61-26(7)50)24(5)36(52)23(4)35(20)51/h10-20,22-24,30,35-36,40,51-55H,46H2,1-9H3,(H,48,57)(H,49,58)/b11-10+,18-17+,21-12+,47-19-

InChIKey

FTXMPGMBARZGMX-KACHRPFDSA-N

Smiles

COC1\C=C\OC2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)\C(=C\C=C\C(C)C(O)C(C)C(O)C(C)C(OC(=O)C)C1C)\C)c(\C=N\NC(=O)c5ccc(N)cc5)c(O)c4c3C2=O