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Substance Name: Beticolin 1
RN: 142633-47-4
InChIKey: CCRCBLGVIYQFLW-UHFFFAOYSA-N

Note

  • A toxin from Cercospora beticola.

Molecular Formula

  • C31-H23-Cl-O13

Molecular Weight

  • 638.963
 
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Names and Synonyms

Name of Substance

  • Beticolin 1

Synonyms

  • Beticolin-1
  • Cebetin A

Systematic Name

  • 17aH-8a,16-endo-Oxiranonaphtho(2',3':5,6)cyclohepta(1,2-c)xanthene-17a-carboxylic acid, 7-chloro-1,2,3,5,8,9,15,16-octahydro-1,4,6,10,13,14-hexahydroxy-18-methyl-5,9,15-trioxo-, methyl ester, (1S-(1alpha,8aalpha,16alpha,17aalpha,18S*,20R*))-

Registry Numbers

CAS Registry Number

  • 142633-47-4

Other Registry Number

  • 137516-40-6

System Generated Number

  • 0142633474

Structure Descriptors

InChI

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

InChIKey

CCRCBLGVIYQFLW-UHFFFAOYSA-N

Smiles

c1(ccc(c2c1C(=O)[C@@]13[C@@H]4O[C@@]4([C@@H](c4c5O[C@@]6(C(C(c5c(c(c4C1)Cl)O)=O)=C(CC[C@@H]6O)O)C(OC)=O)C(C3=C2O)=O)C)O)O