Methyl (1R,2R,4S)-2-ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7,12-pentahydroxy-6,11-dioxo-1-naphthacenecarboxylate

CAS Registry Number®

21288-60-8
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CAS Name

Methyl (1R,2R,4S)-2-ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7,12-pentahydroxy-6,11-dioxo-1-naphthacenecarboxylate

Molecular Formula

C22H20O9

Molecular Mass

428.39

Cite this Page

Methyl (1R,2R,4S)-2-ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7,12-pentahydroxy-6,11-dioxo-1-naphthacenecarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=21288-60-8 (retrieved 2024-05-09) (CAS RN: 21288-60-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    185 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H20O9/c1-3-22(30)7-10(24)12-13(16(22)21(29)31-2)20(28)14-15(19(12)27)18(26)11-8(17(14)25)5-4-6-9(11)23/h4-6,10,16,23-24,27-28,30H,3,7H2,1-2H3/t10-,16-,22+/m0/s1

InChIKey

InChIKey=PYFOXRACBORDCT-GOSXWKPOSA-N

SMILES

C(OC)(=O)[C@@H]1C2=C(C(O)=C3C(=C2O)C(=O)C=4C(C3=O)=C(O)C=CC4)[C@@H](O)C[C@@]1(CC)O

Canonical SMILES

O=C1C=2C=CC=C(O)C2C(=O)C=3C(O)=C4C(=C(O)C13)C(C(=O)OC)C(O)(CC)CC4O

Other Names for this Substance

  • 1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7,12-pentahydroxy-6,11-dioxo-, methyl ester, (1R,2R,4S)-
  • ε-Rhodomycinone
  • 1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7,12-pentahydroxy-6,11-dioxo-, methyl ester, [1R-(1α,2β,4β)]-
  • Methyl (1R,2R,4S)-2-ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7,12-pentahydroxy-6,11-dioxo-1-naphthacenecarboxylate
  • NSC 196524

Deleted or Replaced CAS Registry Numbers

132677-57-7

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