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Substance Name: 3-Ketoanguidin
RN: 2269-44-5
InChIKey: NHJUGASJCCCIPS-RZDZEHBZSA-N

Molecular Formula

  • C19-H24-O7

Molecular Weight

  • 364.392
 
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Names and Synonyms

Name of Substance

  • 3-Ketoanguidin

Synonyms

  • ANGUIDINE, 3 KETO
  • BL-5846
  • NSC 305217

Systematic Name

  • Trichothec-9-en-3-one, 4,15-bis(acetyloxy)-12,13-epoxy-, (4beta)- (9CI)

Registry Numbers

CAS Registry Number

  • 2269-44-5

System Generated Number

  • 0002269445

Structure Descriptors

InChI

1S/C19H24O7/c1-10-5-6-18(8-23-11(2)20)13(7-10)26-16-14(22)15(25-12(3)21)17(18,4)19(16)9-24-19/h7,13,15-16H,5-6,8-9H2,1-4H3/t13-,15-,16-,17-,18-,19+/m1/s1

InChIKey

NHJUGASJCCCIPS-RZDZEHBZSA-N

Smiles

C1([C@H]([C@]2(C)[C@@]3(COC(=O)C)CCC(=C[C@H]3O[C@@H]1[C@]12CO1)C)OC(=O)C)=O