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Substance Name: Epelmycin A
RN: 107807-25-0
InChIKey: GSCMQULDSZTLKO-UHFFFAOYSA-N

Note

  • An epsilon rhodomycinone glycoside; from Streptomyces violaceus.

Molecular Weight

  • 811.873
 
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Names and Synonyms

Name of Substance

  • Epelmycin A

Systematic Name

  • 1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,12-tetrahydroxy-6,11-dioxo-4-((2,3,6-trideoxy-3-(dimethylamino)-4-O-((2S-(2alpha,5beta(2S*,6R*),6beta))-tetrahydro-6-methyl-5-((tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)oxy)-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)oxy)-, methyl ester

Registry Numbers

CAS Registry Number

  • 107807-25-0

System Generated Number

  • 0107807250

Structure Descriptors

InChI

1S/C42H53NO15/c1-8-42(51)17-26(31-32(35(42)41(50)52-7)39(49)33-34(38(31)48)37(47)30-21(36(33)46)10-9-11-24(30)45)57-29-16-22(43(5)6)40(20(4)55-29)58-28-15-13-25(19(3)54-28)56-27-14-12-23(44)18(2)53-27/h9-11,18-20,22,25-29,35,40,45,48-49,51H,8,12-17H2,1-7H3

InChIKey

GSCMQULDSZTLKO-UHFFFAOYSA-N

Smiles

C1(=O)CC[C@@H](O[C@@H]2[C@@H](O[C@@H](O[C@@H]3[C@@H](N(C)C)C[C@@H](O[C@@H]4c5c(c6C(c7c(cccc7C(c6c(c5[C@@H]([C@@](CC)(O)C4)C(=O)OC)O)=O)O)=O)O)O[C@@H]3C)CC2)C)O[C@@H]1C