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Substance Name: 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((4-O-(3-O-acetyl-2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-1,6,8,11-tetrahydroxy-, (8S-cis)-,hydrate
RN: 81975-92-0
InChIKey: WQDRTDLRNGXXMO-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C42-H51-N-O16.H2-O

Molecular Weight

  • 825.8559
 
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Names and Synonyms

  • 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((4-O-(3-O-acetyl-2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-1,6,8,11-tetrahydroxy-, (8S-cis)-,hydrate

Registry Numbers

CAS Registry Number

  • 81975-92-0

System Generated Number

  • 0081975920

Molecular Formulas

Molecular Formula

  • C42-H51-N-O16.H2-O

Molecular Formula Fragments

  • C42-H51-N-O16
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C42H51NO16/c1-17-25(46)11-12-29(53-17)58-41-19(3)55-31(14-27(41)56-21(5)45)59-40-18(2)54-30(13-24(40)43(6)7)57-28-16-42(52,20(4)44)15-23-33(28)39(51)35-34(37(23)49)36(48)22-9-8-10-26(47)32(22)38(35)50/h8-10,17-19,24,27-31,40-41,47,49,51-52H,11-16H2,1-7H3

InChIKey

WQDRTDLRNGXXMO-UHFFFAOYSA-N

Smiles

CC1C(C(CC(O1)OC2CC(Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)O)O)(C(=O)C)O)N(C)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)OC(=O)C