Cas no 28129-52-4 (Bovinone)
Bovinone structure
Product Name:Bovinone
CAS No:28129-52-4
MF:C26H36O4
MW:412.561648368835
CID:275157
PubChem ID:15379535
Update Time:2024-02-29
Bovinone Chemical and Physical Properties
Names and Identifiers
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- 2,5-Cyclohexadiene-1,4-dione,2,5-dihydroxy-3-[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl]-
- 2,5-Cyclohexadiene-1,4-dione,2,5-dihydroxy-3-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-, (E,E,E)-
- 2,5-Dihydroxy-3-geranylgeranyl-1,4-benzoquinone
- Bovinon
- Bovinone
- Boviquinone 4
- p-Benzoquinone,2,5-dihydroxy-3-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-, (E,E,E)-(8CI)
- 3-Geranylgeranyl-2,5-dihydroxy-1,4-benzoquinone
- Boviquinone-4
- TFA3BH8YTC
- 2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-, (E,E,E)-
- 28129-52-4
- DTXSID501109434
- 2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3-[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl]-
- 2,5-Dihydroxy-3-[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl]-2,5-cyclohexadiene-1,4-dione
- p-Benzoquinone, 2,5-dihydroxy-3-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-, (E,E,E)-
- 2,5-dihydroxy-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]cyclohexa-2,5-diene-1,4-dione
- CHEBI:176033
-
- Inchi： 1S/C26H36O4/c1-18(2)9-6-10-19(3)11-7-12-20(4)13-8-14-21(5)15-16-22-25(29)23(27)17-24(28)26(22)30/h9,11,13,15,17,27,30H,6-8,10,12,14,16H2,1-5H3/b19-11+,20-13+,21-15+
- InChI Key： FXIRKSMTDSBFCE-YKBIRWAZSA-N
- SMILES： OC1C(C=C(C(C=1C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C)=O)O)=O
Computed Properties
- Exact Mass: 412.26135963g/mol
- Monoisotopic Mass: 412.26135963g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 30
- Rotatable Bond Count: 11
- Complexity: 825
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 3
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 74.6
- XLogP3: 7.2
Bovinone Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
-
Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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