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: O=C(C1=C(O)C(=C(O)C(O)(C1=O)CC=C(C)C)CC=C(C)C)CC(C)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
• α-Lupulic 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: 95%+
• Color and Shape: Solid
• Molecular weight: 362.4599

Humulone

CAS: 26472-41-3

• Formula: C₂₁H₃₀O₅
• Molecular weight: 362.47

Humulone

CAS: 26472-41-3

• Formula: C₂₁H₃₀O₅
• Purity: 95%~99%
• Color and Shape: Powder
• Molecular weight: 362.466

Humulone

CAS: 26472-41-3

Humulone is a chemical compound, specifically an iso-alpha acid, which is derived from the hops …

• Formula: C₂₁H₃₀O₅
• Purity: Min. 95 Area-%
• Color and Shape: Powder
• Molecular weight: 362.46 g/mol