Humulone

CAS Registry Number®

26472-41-3
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CAS Name

Humulone

Molecular Formula

C21H30O5

Molecular Mass

362.46

Cite this Page

Humulone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=26472-41-3 (retrieved 2024-04-23) (CAS RN: 26472-41-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    65-66.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H30O5/c1-12(2)7-8-15-18(23)17(16(22)11-14(5)6)20(25)21(26,19(15)24)10-9-13(3)4/h7,9,14,23-24,26H,8,10-11H2,1-6H3/t21-/m1/s1

InChIKey

InChIKey=VMSLCPKYRPDHLN-OAQYLSRUSA-N

SMILES

C(C=C(C)C)[C@]1(O)C(=O)C(C(CC(C)C)=O)=C(O)C(CC=C(C)C)=C1O

Canonical SMILES

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

Other Names for this Substance

  • 2,4-Cyclohexadien-1-one, 3,5,6-trihydroxy-4,6-bis(3-methyl-2-buten-1-yl)-2-(3-methyl-1-oxobutyl)-, (6R)-
  • 2,4-Cyclohexadien-1-one, 3,5,6-trihydroxy-2-isovaleryl-4,6-bis(3-methyl-2-butenyl)-, (R)-(-)-
  • 2,4-Cyclohexadien-1-one, 3,5,6-trihydroxy-4,6-bis(3-methyl-2-butenyl)-2-(3-methyl-1-oxobutyl)-, (R)-
  • 2,4-Cyclohexadien-1-one, 3,5,6-trihydroxy-4,6-bis(3-methyl-2-butenyl)-2-(3-methyl-1-oxobutyl)-, (6R)-
  • (6R)-3,5,6-Trihydroxy-4,6-bis(3-methyl-2-buten-1-yl)-2-(3-methyl-1-oxobutyl)-2,4-cyclohexadien-1-one

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Deleted or Replaced CAS Registry Numbers

32452-59-8

CAS INSIGHTSTM
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