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Substance Name: Rhodilunancin A
RN: 96705-22-5
InChIKey: HBOXKYFBCPFWOK-RIYWTIGOSA-N

Note

  • From Streptomyces violaceus & cosmosus.

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data
  • Natural Product

Molecular Formula

  • C40-H53-N-O13

Molecular Weight

  • 755.853
 
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Names and Synonyms

Name of Substance

  • Rhodilunancin A

Synonyms

  • Cosmomycin A
  • Rhodilunanencin A
  • TMF 518

Systematic Name

  • 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-ethyl-1,6,8,11-tetrahydroxy-7-((2,3,6-trideoxy-3-(dimethylamino)-4-O-((2S-(2-alpha,5-beta(2R*,5R*,6R*),6-beta))-tetrahydro-6-methyl-5-((tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)oxy)-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)oxy)-, (7R-trans)-

Registry Numbers

CAS Registry Number

  • 96705-22-5

System Generated Number

  • 0096705225

Structure Descriptors

InChI

1S/C40H53NO13/c1-7-40(48)16-15-22-31(37(47)33-32(35(22)45)36(46)30-21(34(33)44)9-8-10-25(30)43)39(40)54-29-17-23(41(5)6)38(20(4)51-29)53-28-14-12-26(19(3)50-28)52-27-13-11-24(42)18(2)49-27/h8-10,18-20,23-24,26-29,38-39,42-43,45,47-48H,7,11-17H2,1-6H3/t18-,19-,20-,23-,24-,26-,27-,28-,29-,38+,39+,40+/m0/s1

InChIKey

HBOXKYFBCPFWOK-RIYWTIGOSA-N

Smiles

c1(c2c(c(c3C(=O)c4cccc(c4C(c13)=O)O)O)[C@H]([C@@](CC2)(O)CC)O[C@@H]1O[C@H]([C@H]([C@H](C1)N(C)C)O[C@H]1CC[C@@H]([C@@H](O1)C)O[C@H]1CC[C@@H]([C@@H](O1)C)O)C)O