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Substance Name: O-demethylchlorothricin
RN: 134637-04-0
InChIKey: KENNYGWGEDSIKQ-LVNKRDKJSA-N

Note

  • Isolated from Streptomyces; inhibits biosynthesis of cholesterol from mevalonate; shows weak antimicrobial activity.

Molecular Weight

  • 941.4579
 
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Names and Synonyms

Name of Substance

  • O-Demethylchlorothricin

Synonyms

  • MC-031
  • O-Demethylchlorothricin

Systematic Name

  • Chlorothricin, 6C-O-demethyl-

Registry Numbers

CAS Registry Number

  • 134637-04-0

System Generated Number

  • 0134637040

Structure Descriptors

InChI

1S/C49H61ClO16/c1-23-22-49-28(19-30(23)44(55)56)12-9-7-6-8-11-27-15-16-29-31(48(27,5)47(59)65-42(43(49)54)46(58)66-49)13-10-14-35(29)62-37-20-34(52)41(26(4)61-37)64-38-21-36(40(53)25(3)60-38)63-45(57)39-24(2)32(50)17-18-33(39)51/h9,12,15-19,23,25-29,31,34-38,40-41,51-54H,6-8,10-11,13-14,20-22H2,1-5H3,(H,55,56)/b12-9-/t23-,25-,26-,27-,28-,29+,31-,34-,35+,36-,37+,38+,40-,41-,48-,49?/m1/s1

InChIKey

KENNYGWGEDSIKQ-LVNKRDKJSA-N

Smiles

Cc1c(ccc(c1C(=O)O[C@@H]2C[C@@H](O[C@@H]([C@H]2O)C)O[C@@H]3[C@H](O[C@H](C[C@H]3O)O[C@H]4CCC[C@@H]5[C@@H]4C=C[C@@H]6[C@]5(C(=O)OC7=C(C8(C[C@H](C(=C[C@H]8/C=C\CCCC6)C(=O)O)C)OC7=O)O)C)C)O)Cl