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Substance Name: Schaunardimycin
RN: 93423-02-0
InChIKey: RIUWCWJZHMOEJH-NTVFAKLGSA-N

Note

  • Anthracyclin antibiotic.

Molecular Formula

  • C35-H43-N-O14

Molecular Weight

  • 701.718
 
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Names and Synonyms

Name of Substance

  • Schaunardimycin

Synonym

  • Methyl (1R-(1alpha,2beta,4beta))-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-4-((2,3,6-trideoxy-4-O-(2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-3-(methylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-1-naphthacenecarboxylate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 93423-02-0

System Generated Number

  • 0093423020

Structure Descriptors

InChI

1S/C35H43NO14/c1-6-35(45)12-21(49-22-10-17(36-4)33(14(3)48-22)50-23-11-20(39)29(40)13(2)47-23)24-15(28(35)34(44)46-5)9-16-25(31(24)42)32(43)27-19(38)8-7-18(37)26(27)30(16)41/h7-9,13-14,17,20-23,28-29,33,36-40,42,45H,6,10-12H2,1-5H3/t13-,14-,17-,20-,21-,22-,23-,28-,29+,33+,35+/m0/s1

InChIKey

RIUWCWJZHMOEJH-NTVFAKLGSA-N

Smiles

C1[C@@H](O[C@H]([C@H]([C@H]1O)O)C)O[C@H]1[C@@H](NC)C[C@H](O[C@@H]2c3c(cc4C(=O)c5c(ccc(c5C(=O)c4c3O)O)O)[C@H]([C@@](C2)(O)CC)C(OC)=O)O[C@H]1C