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Substance Name: Roseorubicin A
RN: 70559-00-1
InChIKey: IWFXKTHFKLCDQJ-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C54-H78-N2-O18

Molecular Weight

  • 1043.21
 
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Names and Synonyms

Results Name

  • Roseorubicin A

Synonyms

  • BRN 1419073
  • Roseorubicin A

Systematic Name

  • 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-ethyl-1,6,8,11-tetrahydroxy-7-((O-2,3,6-trideoxy-alpha-L-threo-hexopyranosyl-(1-4)-O-2,3,6-trideoxy-alpha-L-threo-hexopyranosyl-(1-4)-O-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl-(1-4)-O-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl-(1-4)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (7R-trans)-

Registry Numbers

CAS Registry Number

  • 70559-00-1

System Generated Number

  • 0070559001

Structure Descriptors

InChI

1S/C54H78N2O18/c1-11-54(64)20-19-30-43(49(63)45-44(47(30)61)48(62)42-29(46(45)60)13-12-14-34(42)58)53(54)74-40-22-32(56(9)10)50(27(5)68-40)72-39-21-31(55(7)8)51(26(4)67-39)73-41-23-35(59)52(28(6)69-41)71-38-18-16-36(25(3)66-38)70-37-17-15-33(57)24(2)65-37/h12-14,24-28,31-33,35-41,50-53,57-59,61,63-64H,11,15-23H2,1-10H3

InChIKey

IWFXKTHFKLCDQJ-UHFFFAOYSA-N

Smiles

C1[C@@H](O[C@@H]([C@@H](C1)O)C)O[C@@H]1CC[C@@H](O[C@@H]1C)O[C@@H]1[C@@H](C[C@@H](O[C@@H]1C)O[C@@H]1[C@@H](C[C@@H](O[C@@H]1C)O[C@@H]1[C@@H](C[C@@H](O[C@@H]1C)O[C@@H]1c2c(c3C(c4cccc(O)c4C(c3c(c2CC[C@@]1(O)CC)O)=O)=O)O)N(C)C)N(C)C)O