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Substance Name: Ehretianone
RN: 176050-43-4
InChIKey: HBDVLYQTRSOPRO-UHFFFAOYSA-N

Notes

  • A quinonoid xanthene from Ehretia buxifolia
  • Effective against Echis carinatus venom; isolated from Ehretia buxifolia.

Molecular Formula

  • C22-H22-O4

Molecular Weight

  • 350.412
 
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Names and Synonyms

Results Name

  • Ehretianone

Synonym

  • Ehretianone

Systematic Name

  • 9,4a-Propeno-4aH-xanthene-1,4-dione, 9,9a-dihydro-7-hydroxy-12-methyl-9a-(3-methyl-2-butenyl)-, (4aalpha,9alpha,9aalpha)-

Registry Numbers

CAS Registry Number

  • 176050-43-4

System Generated Number

  • 0176050434

Structure Descriptors

InChI

1S/C22H22O4/c1-13(2)8-9-21-17-10-14(3)12-22(21,20(25)7-6-19(21)24)26-18-5-4-15(23)11-16(17)18/h4-8,10-11,17,23H,9,12H2,1-3H3

InChIKey

HBDVLYQTRSOPRO-UHFFFAOYSA-N

Smiles

c1(ccc2O[C@@]34C(C=CC([C@@]3(C\C=C(\C)C)[C@@H](c2c1)C=C(C4)C)=O)=O)O