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Substance Name: Deoxyhumulone
RN: 4374-93-0
InChIKey: NQYBQBZOHCACCR-UHFFFAOYSA-N

Molecular Formula

  • C21-H30-O4

Molecular Weight

  • 346.464
 
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Names and Synonyms

Name of Substance

  • Deoxyhumulone

Synonyms

  • 3,5-Bis(3-methyl-2-butenyl)phloroisovalerophenone
  • 4-Deoxyhumulone
  • Humulone, 4-deoxy-

Systematic Name

  • 1-Butanone, 3-methyl-1-(2,4,6-trihydroxy-3,5-bis(3-methyl-2-butenyl)phenyl)-

Registry Numbers

CAS Registry Number

  • 4374-93-0

System Generated Number

  • 0004374930

Structure Descriptors

InChI

1S/C21H30O4/c1-12(2)7-9-15-19(23)16(10-8-13(3)4)21(25)18(20(15)24)17(22)11-14(5)6/h7-8,14,23-25H,9-11H2,1-6H3

InChIKey

NQYBQBZOHCACCR-UHFFFAOYSA-N

Smiles

CC(C)CC(=O)c1c(c(c(c(c1O)CC=C(C)C)O)CC=C(C)C)O