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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-methoxy-6,8,11-trihydroxy-, (8S-cis)-, hydrate (2:3)
RN: 81975-86-2
InChIKey: WOCHAWKPHRLIGU-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C43-H53-N-O16.3/2H2-O

Molecular Weight

  • 839.8827
 
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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-methoxy-6,8,11-trihydroxy-, (8S-cis)-, hydrate (2:3)

Registry Numbers

CAS Registry Number

  • 81975-86-2

System Generated Number

  • 0081975862

Molecular Formulas

Molecular Formula

  • C43-H53-N-O16.3/2H2-O

Molecular Formula Fragments

  • C43-H53-N-O16
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C43H53NO16/c1-18-26(47)12-13-30(54-18)59-42-20(3)56-32(15-28(42)57-22(5)46)60-41-19(2)55-31(14-25(41)44(6)7)58-29-17-43(52,21(4)45)16-24-34(29)40(51)36-35(38(24)49)37(48)23-10-9-11-27(53-8)33(23)39(36)50/h9-11,18-20,25,28-32,41-42,49,51-52H,12-17H2,1-8H3

InChIKey

WOCHAWKPHRLIGU-UHFFFAOYSA-N

Smiles

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