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Substance Name: Beticolin 2
RN: 137622-91-4
InChIKey: JEKCKWPBPSRHKB-UHFFFAOYSA-N

Note

  • A toxin from Cercospora beticola.

Molecular Weight

  • 638.963
 
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Names and Synonyms

Name of Substance

  • Beticolin 2

Synonym

  • Beticolin-2

Systematic Name

  • 4aH-7a,15-endo-Oxiranonaphtho(2',3':4,5)cyclohepta(1,2-b)xanthene-4a-carboxylic acid, 6-chloro-2,3,4,7,8,13,15,17-octahydro-1,4,9,12,14,16-hexahydroxy-18-methyl-8,13,17-trioxo-, methyl ester, (4R-(4alpha,4abeta,7abeta,15beta,18R*,20S*))-

Registry Numbers

CAS Registry Number

  • 137622-91-4

System Generated Number

  • 0137622914

Structure Descriptors

InChI

1S/C31H23ClO13/c1-29-18-13-8(7-30(27(29)45-29)19(24(18)40)22(38)14-9(33)3-4-10(34)15(14)26(30)41)20(32)25-16(21(13)37)23(39)17-11(35)5-6-12(36)31(17,44-25)28(42)43-2/h3-4,12,18,27,33-37,40H,5-7H2,1-2H3

InChIKey

JEKCKWPBPSRHKB-UHFFFAOYSA-N

Smiles

O1[C@@H]2[C@@]1([C@@H]1c3c(c(c4O[C@@]5(C(C(c4c3O)=O)=C(O)CC[C@@H]5O)C(OC)=O)Cl)C[C@@]32C(c2c(ccc(c2C(C3=C1O)=O)O)O)=O)C