Cas no 28374-71-2 (Adlupulone)
Adlupulone structure
Product Name:Adlupulone
CAS No:28374-71-2
MF:C26H38O4
MW:414.577528476715
CID:286558
Update Time:2023-08-03
Adlupulone Chemical and Physical Properties
Names and Identifiers
-
- 4-Cyclohexene-1,3-dione,5-hydroxy-2,2,6-tris(3-methyl-2-buten-1-yl)-4-(2-methyl-1-oxobutyl)-
- 4-Cyclohexene-1,3-dione,5-hydroxy-2,2,6-tris(3-methyl-2-butenyl)-4-(2-methyl-1-oxobutyl)- (9CI)
- 4-Cyclohexene-1,3-dione,5-hydroxy-2,2,6-tris(3-methyl-2-butenyl)-4-(2-methylbutyryl)- (8CI)
- Adlupulone(6CI,7CI)
- ADLUPULONE
- O2S4D7K08Y
- Q27894794
- 3,5-Dihydroxy-4,4,6-tris(3-methyl-2-butenyl)-2-(2-methylbutyryl)-2,5-cyclohexadien-1-one
- 2,4-Cyclohexadien-1-one, 3,5-dihydroxy-4,6,6-tris(3-methyl-2-buten-1-yl)-2-(2-methyl-1-oxobutyl)-
- 3,5-dihydroxy-2-(2-methylbutanoyl)-4,6,6-tris(3-methylbut-2-en-1-yl)cyclohexa-2,4-dien-1-one
- 4-Cyclohexene-1,3-dione, 5-hydroxy-2,2,6-tris(3-methyl-2-buten-1-yl)-4-(2-methyl-1-oxobutyl)-
- Adlupulone
-
- Inchi： 1S/C26H38O4/c1-9-19(8)22(27)21-23(28)20(11-10-16(2)3)24(29)26(25(21)30,14-12-17(4)5)15-13-18(6)7/h10,12-13,19,28-29H,9,11,14-15H2,1-8H3
- InChI Key： QXPOWGXRDUFAQW-UHFFFAOYSA-N
- SMILES： OC1=C(C/C=C(\C)/C)C(=C(C(C(C)CC)=O)C(C1(C/C=C(\C)/C)C/C=C(\C)/C)=O)O
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 30
- Rotatable Bond Count: 9
- Complexity: 814
- Topological Polar Surface Area: 74.6
Adlupulone Related Literature
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1. 920. Chemistry of hop constituents. Part XXI. Adhulupone and analogues of huluponeP. Margaret Brown,J. S. Burton,R. Stevens J. Chem. Soc. 1964 4774
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Ileana Ramazzina,Valentina Macchioni,Katya Carbone Food Funct. 2022 13 9589
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3. Chemistry of hop constituents. Part XXXVIII. Alkenylation of 2-acylcyclohexane-1,3,5-triones and further evidence concerning the fine structure of hop β-acidsM. Collins,D. R. J. Laws,J. D. McGuinness,J. A. Elvidge J. Chem. Soc. C 1971 3814
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Eduardo Sommella,Giulio Verna,Marina Liso,Emanuela Salviati,Tiziana Esposito,Daniela Carbone,Camilla Pecoraro,Marcello Chieppa,Pietro Campiglia Food Funct. 2021 12 12800
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