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Substance Name: 7-O-(3-Amino-2,3,6-trideoxy-alpha-hexopyranosyl)-epsilon-isorhodomycinone
RN: 117016-15-6
InChIKey: QZUSXQWRSHCKJZ-BCMLCFFESA-N

Molecular Formula

  • C28-H31-N-O12

Molecular Weight

  • 573.5479
 
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Names and Synonyms

Name of Substance

  • 7-O-(3-Amino-2,3,6-trideoxy-alpha-hexopyranosyl)-epsilon-isorhodomycinone

Synonyms

  • 1-Hydroxy-10-methoxycarbonyl-13-deoxocarminomycin
  • ATHR

Systematic Name

  • 1-Naphthacenecarboxylic acid, 4-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10,12-pentahydroxy-6,11-dioxo-, methyl ester, (1R-(1alpha,2beta,4beta))-

Registry Numbers

CAS Registry Number

  • 117016-15-6

System Generated Number

  • 0117016156

Structure Descriptors

InChI

1S/C28H31NO12/c1-4-28(38)8-13(41-14-7-10(29)22(32)9(2)40-14)17-18(21(28)27(37)39-3)26(36)20-19(25(17)35)23(33)15-11(30)5-6-12(31)16(15)24(20)34/h5-6,9-10,13-14,21-22,30-32,35-36,38H,4,7-8,29H2,1-3H3/t9-,10-,13-,14-,21-,22+,28+/m0/s1

InChIKey

QZUSXQWRSHCKJZ-BCMLCFFESA-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[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)O