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Methyl (1R,2R,4S)-2-ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7,10-pentahydroxy-6,11-dioxo-1-naphthacenecarboxylate

CAS Registry Number®

21288-61-9
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CAS Name

Methyl (1R,2R,4S)-2-ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7,10-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-2,4,5,7,10-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=21288-61-9 (retrieved 2024-09-20) (CAS RN: 21288-61-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    213-214 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H20O9/c1-3-22(30)7-12(25)13-8(17(22)21(29)31-2)6-9-14(19(13)27)20(28)16-11(24)5-4-10(23)15(16)18(9)26/h4-6,12,17,23-25,27,30H,3,7H2,1-2H3/t12-,17-,22+/m0/s1

InChIKey

InChIKey=RWCVSDKDFSVZNF-KRYGIPSASA-N

SMILES

OC=1C2=C([C@@H](C(OC)=O)[C@](CC)(O)C[C@@H]2O)C=C3C1C(=O)C=4C(C3=O)=C(O)C=CC4O

Canonical SMILES

O=C1C=2C=C3C(=C(O)C2C(=O)C=4C(O)=CC=C(O)C14)C(O)CC(O)(CC)C3C(=O)OC

Other Names for this Substance

  • 1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7,10-pentahydroxy-6,11-dioxo-, methyl ester, (1R,2R,4S)-
  • 1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7,10-pentahydroxy-6,11-dioxo-, methyl ester, [1R-(1α,2β,4β)]-
  • ε-Pyrromycinone
  • Methyl (1R,2R,4S)-2-ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7,10-pentahydroxy-6,11-dioxo-1-naphthacenecarboxylate
  • Antibiotic MA 144D2

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Deleted or Replaced CAS Registry Numbers

668-13-3