CAS 26472-41-3

(6R)-3,5,6-trihydroxy-2-isovaleryl-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dienone

Description:

The chemical substance known as (6R)-3,5,6-trihydroxy-2-isovaleryl-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dienone, with the CAS number 26472-41-3, is a complex organic compound characterized by its unique structural features. It contains multiple hydroxyl groups, indicating its potential for hydrogen bonding and solubility in polar solvents. The presence of isovaleryl and bis(3-methylbut-2-enyl) substituents suggests that it may exhibit significant hydrophobic characteristics, influencing its interactions in biological systems. The cyclohexadienone core structure indicates potential reactivity, particularly in electrophilic addition reactions. This compound may also display interesting biological activities, possibly related to its structural motifs, which are often associated with natural products. Its stereochemistry, denoted by the (6R) configuration, implies specific spatial arrangements that can affect its reactivity and interactions with biological targets. Overall, this compound's diverse functional groups and structural complexity make it a subject of interest in organic chemistry and potential applications in pharmaceuticals or agrochemicals.

Formula: C₂₁H₃₀O₅

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

InChI key: InChIKey=VMSLCPKYRPDHLN-OAQYLSRUSA-N

SMILES: CC(=CCC1=C([C@](CC=C(C)C)(C(=O)C(=C1O)C(=O)CC(C)C)O)O)C

Synonyms:

• (6R)-3,5,6-Trihydroxy-2-(3-methylbutanoyl)-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
• (6R)-3,5,6-Trihydroxy-4,6-bis(3-methyl-2-buten-1-yl)-2-(3-methyl-1-oxobutyl)-2,4-cyclohexadien-1-one
• (6R)-3,5,6-trihydroxy-2-(3-methylbutanoyl)-4,6-bis(3-methylbut-2-en-1-yl)cyclohexa-2,4-dien-1-one
• (6S)-3,5,6-trihydroxy-2-(3-methylbutanoyl)-4,6-bis(3-methylbut-2-en-1-yl)cyclohexa-2,4-dien-1-one
• (R)-humulone
• 1,4,6-Trihydroxy-1,3-bis(2-isopentenyl)-5-isovaleryl-3,5-cyclohexadien-2-on
• 2',3'-Dihydro-3'beta,4',6'-trihydroxy-3'alpha,5'-bis(3-methyl-2-butenyl)-2'-oxoisovalerophenon
• 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-buten-1-yl)-2-(3-methyl-1-oxobutyl)-, (6R)-
• 2,4-Cyclohexadien-1-one, 3,5,6-trihydroxy-4,6-bis(3-methyl-2-butenyl)-2-(3-methyl-1-oxobutyl)-, (6R)-
• 2,4-Cyclohexadien-1-one, 3,5,6-trihydroxy-4,6-bis(3-methyl-2-butenyl)-2-(3-methyl-1-oxobutyl)-, (R)-
• 3,5,6beta-Trihydroxy-2-isovaleryl-4,6alpha-bis(3-methyl-2-butenyl)-2,4-cyclohexadienon
• 4-Cyclohexene-1,3-dione, 5,6-dihydroxy-2,6-bis(3-methyl-2-buten-1-yl)-4-(3-methyl-1-oxobutyl)-
• 4-Cyclohexene-1,3-dione, 5,6-dihydroxy-4-isovaleryl-2,6-bis(3-methyl-2-butenyl)-
• Ccris 7249
• Humulon
• Humulone
• Humulone α-acid
• Nsc 56351
• Unii-Khb4767H3K
• alpha-Humulon
• humulone, (R)-
• α-Acid

2,4-Cyclohexadien-1-one, 3,5,6-trihydroxy-4,6-bis(3-methyl-2-buten-1-yl)-2-(3-methyl-1-oxobutyl)-, (6R)-

CAS: 26472-41-3

Formula: C₂₁H₃₀O₅

Purity: 98%

Color and Shape: Solid

Molecular weight: 362.4599

Ref: IN-DA002TCY

Humulone

CAS: 26472-41-3

Formula: C₂₁H₃₀O₅

Purity: 95%~99%

Color and Shape: Powder

Molecular weight: 362.466

Ref: BP-BP1607

Humulone

CAS: 26472-41-3

Formula: C₂₁H₃₀O₅

Molecular weight: 362.47

Ref: 4Z-P-249003

Humulone

CAS: 26472-41-3

Humulone is a chemical compound, specifically an iso-alpha acid, which is derived from the hops plant, Humulus lupulus. This compound is formed during the beer brewing process when hop acids are heated and isomerized. Its mode of action involves inhibiting inflammatory pathways, potentially affecting prostaglandin production and various kinases associated with inflammation.

Formula: C₂₁H₃₀O₅

Purity: Min. 95 Area-%

Color and Shape: Powder

Molecular weight: 362.46 g/mol

Ref: 3D-FH65574