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Substance Name: Colupulone
RN: 468-27-9
InChIKey: GEXOPZHAKQAGLU-UHFFFAOYSA-N

Note

  • An antibiotic hops component; induces hepatic cytochrome P-4503A in the mouse.

Molecular Formula

  • C25-H36-O4

Molecular Weight

  • 400.5554
 
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Names and Synonyms

Name of Substance

  • Colupulone

Systematic Name

  • 2,4-Cyclohexadien-1-one, 3,5-dihydroxy-2,6,6-tris(3-methyl-2-butenyl)-4-(2-methyl-1-oxopropyl)-

Registry Numbers

CAS Registry Number

  • 468-27-9

System Generated Number

  • 0000468279

Structure Descriptors

InChI

1S/C25H36O4/c1-15(2)9-10-19-22(27)20(21(26)18(7)8)24(29)25(23(19)28,13-11-16(3)4)14-12-17(5)6/h9,11-12,18,27,29H,10,13-14H2,1-8H3

InChIKey

GEXOPZHAKQAGLU-UHFFFAOYSA-N

Smiles

CC(C)C(=O)C1=C(C(C(=O)C(=C1O)CC=C(C)C)(CC=C(C)C)CC=C(C)C)O