Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Decilorubicin
RN: 86016-61-7
InChIKey: REJZVZSFWFSPHT-UHFFFAOYSA-N

Note

  • Isolated from Streptomyces virginiae.

Molecular Formula

  • C60-H82-N4-O26

Molecular Weight

  • 1275.31
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Decilorubicin

Systematic Name

  • Butanedioic acid, 4'''-ester with 5-((O-2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl-(1->4)-O-2,3,6-trideoxy-3-C-methyl-3-nitro-beta-L-ribo-hexopyranosyl-(1->4)-2,3,6-trideoxy-3-C-methyl-3-nitro-beta-L-ribo-hexopyranosyl)oxy)-4-(dimethylamino)-3,4,5,6,11,12,13,14-octahydro-3,10,13,15-tetrahydroxy-6,13-dimethyl-11-((2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-2,6-epoxy-2H-naphthaceno(1,2-b)oxocin-9,16-dione

Registry Numbers

CAS Registry Number

  • 86016-61-7

System Generated Number

  • 0086016617

Structure Descriptors

InChI

1S/C60H82N4O26/c1-24-45(68)31(61(9)10)18-36(80-24)84-33-21-57(5,74)20-29-40(33)48(71)42-43(47(29)70)49(72)41-28(46(42)69)14-15-30-52(41)89-56-50(73)44(62(11)12)55(60(30,8)90-56)88-39-23-59(7,64(77)78)54(27(4)83-39)87-38-22-58(6,63(75)76)53(26(3)82-38)86-37-19-32(79-13)51(25(2)81-37)85-35(67)17-16-34(65)66/h14-15,24-27,31-33,36-39,44-45,50-51,53-56,68,70-71,73-74H,16-23H2,1-13H3,(H,65,66)

InChIKey

REJZVZSFWFSPHT-UHFFFAOYSA-N

Smiles

C1[C@@H](O[C@@H]([C@@H](OC(CCC(O)=O)=O)[C@@H]1OC)C)O[C@@H]1[C@@](C)([N+]([O-])=O)C[C@@H](O[C@@H]2[C@@](C[C@@H](O[C@@H]2C)O[C@@H]2[C@@]3(c4ccc5C(c6c(c(c7C[C@@](C[C@@H](c7c6O)O[C@@H]6O[C@@H]([C@@H]([C@@H](C6)N(C)C)O)C)(O)C)O)C(c5c4O[C@@H]([C@@H]([C@@H]2N(C)C)O)O3)=O)=O)C)(C)[N+]([O-])=O)O[C@@H]1C