Cas no 83790-31-2 (4-[(3E,7E)-11,12-Dihydroxy-4,8,12-trimethyl-3,7-tridecadienyl]-2(5H)-furanone)
![4-[(3E,7E)-11,12-Dihydroxy-4,8,12-trimethyl-3,7-tridecadienyl]-2(5H)-furanone structure](https://ossimg.kuujia.com/scimg/84000/83790-31-2x500.png)
83790-31-2 structure
Product Name:4-[(3E,7E)-11,12-Dihydroxy-4,8,12-trimethyl-3,7-tridecadienyl]-2(5H)-furanone
CAS No:83790-31-2
MF:C20H32O4
MW:336.465686798096
CID:730026
Update Time:2024-03-01
4-[(3E,7E)-11,12-Dihydroxy-4,8,12-trimethyl-3,7-tridecadienyl]-2(5H)-furanone Chemical and Physical Properties
Names and Identifiers
-
- 2(5H)-Furanone,4-[(3E,7E)-11,12-dihydroxy-4,8,12-trimethyl-3,7-tridecadien-1-yl]-
- 4-[(3E,7E)-11,12-Dihydroxy-4,8,12-trimethyl-3,7-tridecadienyl]-2(5H)-furanone
- Dimerobrasiolide
- CID 101671466
- 2(5H)-Furanone, 4-[(3E,7E)-11,12-dihydroxy-4,8,12-trimethyl-3,7-tridecadien-1-yl]-
-
- Inchi： 1S/C20H32O4/c1-15(9-6-10-17-13-19(22)24-14-17)7-5-8-16(2)11-12-18(21)20(3,4)23/h8-9,13,18,21,23H,5-7,10-12,14H2,1-4H3/b15-9+,16-8+
- InChI Key： QHQVIZDBKVYMNF-CBMFITSNSA-N
- SMILES： OC(CC/C(/C)=C/CC/C(/C)=C/CCC1=CC(=O)OC1)C(C)(C)O
Computed Properties
- Exact Mass: 336.23
- Monoisotopic Mass: 336.23
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 10
- Complexity: 512
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 66.8
- XLogP3: 3.276
Experimental Properties
- Density: 1.056±0.06 g/cm3(Predicted)
- Boiling Point: 522.0±50.0 °C(Predicted)
- pka: 14.66±0.29(Predicted)
4-[(3E,7E)-11,12-Dihydroxy-4,8,12-trimethyl-3,7-tridecadienyl]-2(5H)-furanone Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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