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Substance Name: Epsilon-isorhodomycinone
RN: 21204-32-0
InChIKey: CIXXANXJCSBTFL-ACHUOPHGSA-N

Molecular Weight

  • 444.39
 
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Names and Synonyms

Name of Substance

  • Epsilon-isorhodomycinone

Synonym

  • 1,11-Dihydroxyaklavinone

Systematic Name

  • 1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7,10,12-hexahydroxy-6,11-dioxo-, methyl ester, (1R-(1alpha,2beta,4beta))-

Registry Numbers

CAS Registry Number

  • 21204-32-0

System Generated Number

  • 0021204320

Structure Descriptors

InChI

1S/C22H20O10/c1-3-22(31)6-9(25)12-13(16(22)21(30)32-2)20(29)15-14(19(12)28)17(26)10-7(23)4-5-8(24)11(10)18(15)27/h4-5,9,16,23-25,28-29,31H,3,6H2,1-2H3/t9-,16-,22+/m0/s1

InChIKey

CIXXANXJCSBTFL-ACHUOPHGSA-N

Smiles

CC[C@]1(C[C@@H](c2c(c(c3c(c2O)C(=O)c4c(ccc(c4C3=O)O)O)O)[C@H]1C(=O)OC)O)O