Lupulone

CAS Registry Number®

468-28-0

CAS Name

Lupulone

Molecular Formula

C26H38O4

Molecular Mass

414.58

Cite this Page

Lupulone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=468-28-0 (retrieved 2025-04-01) (CAS RN: 468-28-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    93 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C26H38O4/c1-16(2)9-10-20-23(28)22(21(27)15-19(7)8)25(30)26(24(20)29,13-11-17(3)4)14-12-18(5)6/h9,11-12,19,28,30H,10,13-15H2,1-8H3

InChIKey

InChIKey=WPVSVIXDXMNGGN-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(C=1C(O)=C(C(=O)C(C1O)(CC=C(C)C)CC=C(C)C)CC=C(C)C)CC(C)C

Other Names for this Substance

  • 2,4-Cyclohexadien-1-one, 3,5-dihydroxy-2,6,6-tris(3-methyl-2-buten-1-yl)-4-(3-methyl-1-oxobutyl)-
  • Lupulone
  • 2,4-Cyclohexadien-1-one, 3,5-dihydroxy-2,6,6-tris(3-methyl-2-butenyl)-4-(3-methyl-1-oxobutyl)-
  • 3,5-Dihydroxy-2,6,6-tris(3-methyl-2-buten-1-yl)-4-(3-methyl-1-oxobutyl)-2,4-cyclohexadien-1-one
  • β-Lupulic acid

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