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Substance Name: 1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-4-((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)-6,11-dioxo-2-ethyl-2,5,7-trihydroxy-, methyl ester, (1R-(1-alpha,2-beta,4-beta))-, hydrate (2:1)
RN: 81975-85-1
InChIKey: OXPCOKYDCIONEE-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C44-H55-N-O16.1/2H2-O

Molecular Weight

  • 853.9095
 
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Names and Synonyms

  • 1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-4-((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)-6,11-dioxo-2-ethyl-2,5,7-trihydroxy-, methyl ester, (1R-(1-alpha,2-beta,4-beta))-, hydrate (2:1)

Registry Numbers

CAS Registry Number

  • 81975-85-1

System Generated Number

  • 0081975851

Molecular Formulas

Molecular Formula

  • C44-H55-N-O16.1/2H2-O

Molecular Formula Fragments

  • C44-H55-N-O16
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C44H55NO16/c1-9-44(53)18-30(35-24(37(44)43(52)54-8)15-25-36(40(35)51)39(50)34-23(38(25)49)11-10-12-28(34)48)59-32-16-26(45(6)7)41(20(3)56-32)61-33-17-29(58-22(5)46)42(21(4)57-33)60-31-14-13-27(47)19(2)55-31/h10-12,15,19-21,26,29-33,37,41-42,48,51,53H,9,13-14,16-18H2,1-8H3

InChIKey

OXPCOKYDCIONEE-UHFFFAOYSA-N

Smiles

CCC1(CC(c2c(cc3c(c2O)C(=O)c4c(cccc4O)C3=O)C1C(=O)OC)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)OC(=O)C)N(C)C)O