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

CAS Registry Number®

16234-96-1
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CAS Name

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

Molecular Formula

C22H20O8

Molecular Mass

412.39

Cite this Page

Methyl (1R,2R,4S)-2-ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7-tetrahydroxy-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=16234-96-1 (retrieved 2024-05-19) (CAS RN: 16234-96-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H20O8/c1-3-22(29)8-13(24)15-10(17(22)21(28)30-2)7-11-16(20(15)27)19(26)14-9(18(11)25)5-4-6-12(14)23/h4-7,13,17,23-24,27,29H,3,8H2,1-2H3/t13-,17-,22+/m0/s1

InChIKey

InChIKey=RACGRCLGVYXIAO-YOKWENHESA-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(CC)O

Canonical SMILES

O=C1C=2C=CC=C(O)C2C(=O)C=3C(O)=C4C(=CC13)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-tetrahydroxy-6,11-dioxo-, methyl ester, (1R,2R,4S)-
  • Aklavinone
  • 1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7-tetrahydroxy-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-tetrahydroxy-6,11-dioxo-1-naphthacenecarboxylate
  • Antibiotic MA 144D1

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Deleted or Replaced CAS Registry Numbers

132701-57-6, 21204-33-1

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