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Substance Name: AD 115
RN: 80242-51-9
InChIKey: PXKNMUUIFRQWIN-UHFFFAOYSA-N

Molecular Formula

  • C30-H28-F5-N-O12

Molecular Weight

  • 689.536
 
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Names and Synonyms

Results Name

  • AD 115

Synonym

  • AD 115

Systematic Name

  • 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-10-((2,3,6-trideoxy-3-((2,2,3,3,3-pentafluoro-1-oxopropyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)-

Registry Numbers

CAS Registry Number

  • 80242-51-9

System Generated Number

  • 0080242519

Structure Descriptors

InChI

1S/C30H28F5NO12/c1-10-22(39)13(36-27(44)29(31,32)30(33,34)35)6-17(47-10)48-15-8-28(45,16(38)9-37)7-12-19(15)26(43)21-20(24(12)41)23(40)11-4-3-5-14(46-2)18(11)25(21)42/h3-5,10,13,15,17,22,37,39,41,43,45H,6-9H2,1-2H3,(H,36,44)

InChIKey

PXKNMUUIFRQWIN-UHFFFAOYSA-N

Smiles

C1[C@@H](O[C@@H]([C@@H](O)[C@@H]1NC(C(C(F)(F)F)(F)F)=O)C)O[C@@H]1C[C@@](Cc2c(O)c3C(=O)c4cccc(OC)c4C(=O)c3c(O)c12)(O)C(CO)=O