Methyl (1R,2R,4S)-1,2,3,4,6,11-hexahydro-2,4,5,7-tetrahydroxy-2-methyl-6,11-dioxo-1-naphthacenecarboxylate

CAS Registry Number®

78173-89-4

CAS Name

Methyl (1R,2R,4S)-1,2,3,4,6,11-hexahydro-2,4,5,7-tetrahydroxy-2-methyl-6,11-dioxo-1-naphthacenecarboxylate

Molecular Formula

C21H18O8

Molecular Mass

398.36

Cite this Page

Methyl (1R,2R,4S)-1,2,3,4,6,11-hexahydro-2,4,5,7-tetrahydroxy-2-methyl-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=78173-89-4 (retrieved 2024-12-24) (CAS RN: 78173-89-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H18O8/c1-21(28)7-12(23)14-9(16(21)20(27)29-2)6-10-15(19(14)26)18(25)13-8(17(10)24)4-3-5-11(13)22/h3-6,12,16,22-23,26,28H,7H2,1-2H3/t12-,16-,21+/m0/s1

InChIKey

InChIKey=WCKNDRCJQZCZLO-LBJGKRIESA-N

SMILES

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

Canonical SMILES

O=C1C=2C=CC=C(O)C2C(=O)C=3C(O)=C4C(=CC13)C(C(=O)OC)C(O)(C)CC4O

Other Names for this Substance

  • 1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-2,4,5,7-tetrahydroxy-2-methyl-6,11-dioxo-, methyl ester, (1R,2R,4S)-
  • 1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-2,4,5,7-tetrahydroxy-2-methyl-6,11-dioxo-, methyl ester, [1R-(1α,2β,4β)]-
  • Methyl (1R,2R,4S)-1,2,3,4,6,11-hexahydro-2,4,5,7-tetrahydroxy-2-methyl-6,11-dioxo-1-naphthacenecarboxylate
  • Auramycinone

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