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Substance Name: Collinemycin
RN: 72598-49-3
InChIKey: PXKJRTZJMGPOGS-UHFFFAOYSA-N

Note

  • From bohemic acid complex; cpd is (1S)-stereoisomer of musettamycin.

Classification Code

  • Mutation Data

Molecular Formula

  • C36-H45-N-O14

Molecular Weight

  • 715.745
 
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Names and Synonyms

Name of Substance

  • Collinemycin

Synonyms

  • 10-epi-Musettamycin
  • Collinemycin

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 72598-49-3

System Generated Number

  • 0072598493

Structure Descriptors

InChI

1S/C36H45NO14/c1-7-36(46)13-22(50-23-11-18(37(4)5)34(15(3)49-23)51-24-12-21(40)30(41)14(2)48-24)25-16(29(36)35(45)47-6)10-17-26(32(25)43)33(44)28-20(39)9-8-19(38)27(28)31(17)42/h8-10,14-15,18,21-24,29-30,34,38-41,43,46H,7,11-13H2,1-6H3

InChIKey

PXKJRTZJMGPOGS-UHFFFAOYSA-N

Smiles

c12C(c3c(c(O)ccc3O)C(c1cc1c(c2O)[C@@H](C[C@@]([C@@H]1C(=O)OC)(O)CC)O[C@@H]1C[C@@H](N(C)C)[C@@H]([C@@H](O1)C)O[C@@H]1O[C@@H](C)[C@@H]([C@@H](C1)O)O)=O)=O