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Substance Name: Butyrophenone, 3'-((5-butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl)-2',6'-dihydroxy-4'-methoxy-5'-methyl-
RN: 989-54-8
InChIKey: CMKHZPXDAXVNES-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H32-O8

Molecular Weight

  • 460.52
 
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Names and Synonyms

Synonyms

  • 3-08-00-04399 (Beilstein Handbook Reference)
  • BRN 2230587
  • p-Aspidin
  • p-Aspidin BB
  • Paraaspidin

Systematic Name

  • Butyrophenone, 3'-((5-butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl)-2',6'-dihydroxy-4'-methoxy-5'-methyl-

Registry Numbers

CAS Registry Number

  • 989-54-8

System Generated Number

  • 0000989548

Structure Descriptors

InChI

1S/C25H32O8/c1-7-9-15(26)17-19(28)12(3)22(33-6)13(20(17)29)11-14-21(30)18(16(27)10-8-2)24(32)25(4,5)23(14)31/h28-29,31-32H,7-11H2,1-6H3

InChIKey

CMKHZPXDAXVNES-UHFFFAOYSA-N

Smiles

c1(c(c(c(O)c(c1O)C(CCC)=O)C)OC)CC=1C(C(=C(O)C(C1O)(C)C)C(CCC)=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 17mg/kg (17mg/kg)   Journal of Pharmaceutical Sciences. Vol. 54, Pg. 1362, 1965.