Cas no 468-28-0 (Lupulone)
Lupulone structure
Product Name:Lupulone
Lupulone Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Cyclohexadien-1-one,3,5-dihydroxy-2,6,6-tris(3-methyl-2-buten-1-yl)-4-(3-methyl-1-oxobutyl)-
- Lupulon
- 2,4-Cyclohexadien-1-one,3,5-dihydroxy-2,6,6-tris(3-methyl-2-buten-1-yl)-4-(3-methyl-1-oxobutyl...
- 3,5-dihydroxy-2-(3-methylbutanoyl)-4,6,6-tris(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
- B-LUPULIC ACID
- Lupulone
- B'-Acid
- EINECS 207-405-3
- 3,5-Dihydroxy-2,6,6-tris(3-methyl-2-butenyl)-4-(3-methyl-1-oxobutyl)-2,4-cyclohexadien-1-one
- 3,5-Dihydroxy-2,6,6-tris(3-methylbuten-2-yl)-4-(3-methyl-1-oxobutyl)cyclohexa-2,4-dien-1-one
- HY-124923
- 2,4-Cyclohexadien-1-one, 3,5-dihydroxy-2,6,6-tris(3-methyl-2-butenyl)-4-(3-methyl-1-oxobutyl)-
- CS-0089577
- FT-0650864
- hop beta-acid
- beta-Bitter acid
- 3,5-dihydroxy-2,6,6-tris(3-methylbut-2-enyl)-4-(3-methyl-1-oxobutyl)cyclohexa-2,4-dien-1-one
- Q27107249
- AKOS040744749
- Lupolon
- 468-28-0
- DTXSID00875553
- B7425USG94
- GTPL12445
- PD118550
- 3,5-dihydroxy-2,6,6-tris(3-methylbut-2-enyl)-4-(3-methylbutanoyl)cyclohexa-2,4-dienone
- 2,4-Cyclohexadien-1-one, 3,5-dihydroxy-4-isovaleryl-2,6,6-tris(3-methyl-2-butenyl)-
- B'' -Acid
- LUPULON [MI]
- 3,5-Dihydroxy-2,6,6-tris(3-methyl-2-buten-1-yl)-4-(3-methyl-1-oxobutyl)-2,4-cyclohexadien-1-one
- Q55939056
- 3,5-Dihydroxy-4-(3-methylbutanoyl)-2,6,6-tris(3-methyl-2-butenyl)-2,4-cyclohexadien-1-one #
- CHEMBL480267
- .beta.-Lupulic acid
- SCHEMBL819253
- SCHEMBL2431439
- beta-Lupulic acid
- .beta.-Bitter acid
- AKOS015896772
- 3,5-dihydroxy-2-(3-methylbutanoyl)-4,6,6-tris(3-methylbut-2-en-1-yl)cyclohexa-2,4-dien-1-one
- CHEBI:6574
- UNII-B7425USG94
- DA-55073
-
- 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/h9,11-12,19,28-29H,10,13-15H2,1-8H3
- InChI Key： LSDULPZJLTZEFD-UHFFFAOYSA-N
- SMILES： OC1=C(C/C=C(\C)/C)C(=C(C(CC(C)C)=O)C(C1(C/C=C(\C)/C)C/C=C(\C)/C)=O)O
Computed Properties
- Exact Mass: 414.27700
- Monoisotopic Mass: 414.27701
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 30
- Rotatable Bond Count: 9
- Complexity: 812
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 74.6
- XLogP3: 6.7
Experimental Properties
- Color/Form: NA
- Density: 1.045±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 93 oC
- Boiling Point: 453.43°C (rough estimate)
- Flash Point: 321°C
- Refractive Index: 1.4840 (estimate)
- Solubility: Insuluble (2.1E-4 g/L) (25 oC),
- PSA: 74.60000
- LogP: 6.86380
Lupulone Security Information
- Signal Word：warning
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
-
Warning Statement：
P264Thoroughly clean after treatment
P280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective mask
P305If it enters the eyes
P351Rinse carefully with water for a few minutes
P338Remove the contact lens(If any)And easy to operate,Continue flushing
P337If eye irritation persists
P313Obtain medical advice/care - Hazardous Material transportation number：UN 2811
- Hazard Category Code： 25
- Safety Instruction： 45
- RTECS：OK5950000
-
Hazardous Material Identification：
- Packing Group：III
- Hazard Level：6.1(b)
- Safety Term：6.1(b)
- Packing Group：III
- Risk Phrases：R25
- HazardClass：6.1(b)
- PackingGroup：III
- Toxicity：LD50 in mice, rats (mg/kg): 525, 100 orally (Hnsel, Wagener)
- Storage Condition：Storage at -4 ℃ (6-12weeks), long storage period at -20 ℃ (1-2years), transport at 0 ℃
Lupulone Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | L478000-10mg |
Lupulone |
468-28-0 | 10mg |
$ 227.00 | 2023-09-07 | ||
| TRC | L478000-100mg |
Lupulone |
468-28-0 | 100mg |
$ 1748.00 | 2023-09-07 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | L16400-20mg |
3,5-dihydroxy-2-(3-methylbutanoyl)-4,6,6-tris(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one |
468-28-0 | 20mg |
￥1768.0 | 2021-09-09 | ||
| eNovation Chemicals LLC | Y1259737-10mg |
2,4-Cyclohexadien-1-one,3,5-dihydroxy-2,6,6-tris(3-methyl-2-buten-1-yl)-4-(3-methyl-1-oxobutyl)- |
468-28-0 | 95% | 10mg |
$790 | 2024-06-07 | |
| SHENG KE LU SI SHENG WU JI SHU | sc-235530-2 mg |
Lupulone, |
468-28-0 | ≥97% | 2mg |
￥11,582.00 | 2023-07-10 | |
| SHENG KE LU SI SHENG WU JI SHU | sc-235530-2mg |
Lupulone, |
468-28-0 | ≥97% | 2mg |
￥11582.00 | 2023-09-05 | |
| 1PlusChem | 1P0072FZ-1mg |
2,4-Cyclohexadien-1-one,3,5-dihydroxy-2,6,6-tris(3-methyl-2-buten-1-yl)-4-(3-methyl-1-oxobutyl)- |
468-28-0 | ≥95% | 1mg |
$85.00 | 2025-02-21 | |
| 1PlusChem | 1P0072FZ-5mg |
2,4-Cyclohexadien-1-one,3,5-dihydroxy-2,6,6-tris(3-methyl-2-buten-1-yl)-4-(3-methyl-1-oxobutyl)- |
468-28-0 | ≥95% | 5mg |
$261.00 | 2025-02-21 | |
| 1PlusChem | 1P0072FZ-10mg |
2,4-Cyclohexadien-1-one,3,5-dihydroxy-2,6,6-tris(3-methyl-2-buten-1-yl)-4-(3-methyl-1-oxobutyl)- |
468-28-0 | ≥95% | 10mg |
$477.00 | 2025-02-21 | |
| PhytoLab | 86708-50mg |
Lupulone (stable DCHA salt) |
468-28-0 | ≥ 90.0 % | 50mg |
€2965.5000000000005 | 2023-10-25 |
Lupulone Related Literature
-
Abeer H. Elmaidomy,Nourhan Hisham Shady,Khaled Mohamed Abdeljawad,Mohamed Badran Elzamkan,Hussein Hykel Helmy,Emad Ashour Tarshan,Abanoub Nabil Adly,Yasmin Hamdy Hussien,Nesma Gamal Sayed,Ahmed Zayed,Usama Ramadan Abdelmohsen RSC Adv. 2022 12 29078
-
G. A. Howard,J. R. A. Pollock,A. R. Tatchell J. Chem. Soc. 1955 174
-
3. 350. The chemistry of hop constituents. Part II. Oxidation products of lupuloneG. A. Howard,J. R. A. Pollock J. Chem. Soc. 1952 1902
-
4. 381. The chemistry of hop constituents. Part I. Humulinone, a new constituent of hopsA. H. Cook,G. Harris J. Chem. Soc. 1950 1873
-
Ana Cristina Abreu,Andrew J. McBain,Manuel Sim?es Nat. Prod. Rep. 2012 29 1007
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