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Substance Name: 10-epi-Aclacinomycin A
RN: 77448-81-8
InChIKey: USZYSDMBJDPRIF-AMHJHPIGSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C42-H53-N-O15

Molecular Weight

  • 811.873
 
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Names and Synonyms

Results Name

  • 10-epi-Aclacinomycin A

Synonyms

  • 10-epi-Aclacinomycin A
  • NSC 208734
  • NSC-208,734

Systematic Name

  • 1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-6,11-dioxo-2-ethyl-4-((2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-2,5,7-trihydroxy-, methyl ester, (1S-(1-alpha,2-alpha,4-alpha))-

Registry Numbers

CAS Registry Number

  • 77448-81-8

System Generated Number

  • 0077448818

Structure Descriptors

InChI

1S/C42H53NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-11,14,18-20,24,27-31,35,39-40,45-46,49,51H,8,12-13,15-17H2,1-7H3/t18-,19-,20-,24-,27-,28-,29-,30-,31-,35+,39+,40+,42+/m0/s1

InChIKey

USZYSDMBJDPRIF-AMHJHPIGSA-N

Smiles

C1CC([C@@H](O[C@H]1O[C@@H]1[C@@H](O[C@H](C[C@@H]1O)O[C@H]1[C@H](C[C@@H](O[C@H]1C)O[C@@H]1c2c([C@@H]([C@@](C1)(O)CC)C(OC)=O)cc1c(C(c3c(C1=O)cccc3O)=O)c2O)N(C)C)C)C)=O