Deoxyhumulone

CAS Registry Number®

4374-93-0

CAS Name

Deoxyhumulone

Molecular Formula

C21H30O4

Molecular Mass

346.46

Cite this Page

Deoxyhumulone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4374-93-0 (retrieved 2024-11-22) (CAS RN: 4374-93-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    81-82 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey=NQYBQBZOHCACCR-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 1-Butanone, 3-methyl-1-[2,4,6-trihydroxy-3,5-bis(3-methyl-2-buten-1-yl)phenyl]-
  • Butyrophenone, 2′,4′,6′-trihydroxy-3-methyl-3′,5′-bis(3-methyl-2-butenyl)-
  • 1-Butanone, 3-methyl-1-[2,4,6-trihydroxy-3,5-bis(3-methyl-2-butenyl)phenyl]-
  • Phlorobutyrophenone, 3-methyl-3′,5′-bis(3-methyl-2-butenyl)-
  • 3-Methyl-1-[2,4,6-trihydroxy-3,5-bis(3-methyl-2-buten-1-yl)phenyl]-1-butanone

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