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Substance Name: Stemphyltoxin I
RN: 102694-30-4
InChIKey: CWLFJXQTLUVHKQ-KLFMHZEUSA-N

Molecular Formula

  • C20-H14-O7

Molecular Weight

  • 366.324
 
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Names and Synonyms

Results Name

  • Stemphyltoxin I

Synonyms

  • Altertoxin I
  • Stemphyltoxin I

Systematic Name

  • Perylo(1,2-b)oxirene-7,11-dione, 7a,8a,8b,8c,9,10-hexahydro-1,6,8c,9- tetrahydroxy-, (7aR-(7aalpha,8aalpha,8bbeta,8calpha,9alpha))-

Registry Numbers

CAS Registry Number

  • 102694-30-4

System Generated Number

  • 0102694304

Structure Descriptors

InChI

1S/C20H14O7/c21-8-4-2-7-6-1-3-9(22)14-12(6)16(18-19(27-18)17(14)25)20(26)11(24)5-10(23)13(8)15(7)20/h1-4,11,16,18-19,21-22,24,26H,5H2/t11-,16-,18+,19-,20-/m0/s1

InChIKey

CWLFJXQTLUVHKQ-KLFMHZEUSA-N

Smiles

c1c2c3c(C([C@H]4[C@@H]([C@H]3[C@@]3([C@H](CC(c5c3c2ccc5O)=O)O)O)O4)=O)c(c1)O