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Substance Name: Cinerubin X
RN: 104700-84-7
InChIKey: MOJNCDRIHYDVBS-UHFFFAOYSA-N

Note

  • Produced by blocked mutant of Streptomyces violaceochromogenes.

Molecular Formula

  • C40-H48-O16

Molecular Weight

  • 784.803
 
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Names and Synonyms

Name of Substance

  • Cinerubin X

Systematic Name

  • 1-Naphthacenecarboxylic acid, 4-((5-((2,6-dideoxy-4-O-(tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)oxy)tetrahydro-6-methyl-2H-pyran-2-yl)oxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-, methyl ester, (1R-(1alpha,2beta,4beta(2R*,5S*(2R*,6S*),6S*)))-

Registry Numbers

CAS Registry Number

  • 104700-84-7

System Generated Number

  • 0104700847

Structure Descriptors

InChI

1S/C40H48O16/c1-6-40(49)15-26(30-19(34(40)39(48)50-5)13-20-31(36(30)46)37(47)33-23(43)8-7-22(42)32(33)35(20)45)55-27-12-10-25(17(3)52-27)54-29-14-24(44)38(18(4)53-29)56-28-11-9-21(41)16(2)51-28/h7-8,13,16-18,24-29,34,38,42-44,46,49H,6,9-12,14-15H2,1-5H3

InChIKey

MOJNCDRIHYDVBS-UHFFFAOYSA-N

Smiles

C1C[C@@H](O[C@@H](C)C1=O)O[C@@H]1[C@@H](C[C@@H](O[C@@H]2CC[C@@H](O[C@@H]2C)O[C@@H]2c3c(c4C(c5c(C(c4cc3[C@@H]([C@@](C2)(O)CC)C(OC)=O)=O)c(O)ccc5O)=O)O)O[C@@H]1C)O