Cas no 210708-13-7 (2,5-Cyclohexadiene-1,4-dione, 5-ethoxy-2-hydroxy-3-(8Z,11Z)-8,11,14-pentadecatrien-1-yl-)
210708-13-7 structure
Product Name:2,5-Cyclohexadiene-1,4-dione, 5-ethoxy-2-hydroxy-3-(8Z,11Z)-8,11,14-pentadecatrien-1-yl-
CAS No:210708-13-7
MF:C23H32O4
MW:372.497787475586
CID:4733763
PubChem ID:10667016
Update Time:2024-03-01
2,5-Cyclohexadiene-1,4-dione, 5-ethoxy-2-hydroxy-3-(8Z,11Z)-8,11,14-pentadecatrien-1-yl- Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Cyclohexadiene-1,4-dione, 5-ethoxy-2-hydroxy-3-(8Z,11Z)-8,11,14-pentadecatrien-1-yl-
- 5-ethoxy-2-hydroxy-3-[(8E,11E)-pentadeca-8,11,14-trienyl]cyclohexa-2,5-diene-1,4-dione
- 5-Ethoxysorgoleone 358
- 5-Ethoxysorgoleone
- CHEBI:174958
- NS00094511
- CHEMBL516568
- 210708-13-7
- 5-ethoxy-sorgoleone
- 5-Ethoxy-2-hydroxy-3-(8Z,11Z)-8,11,14-pentadecatrien-1-yl-2,5-cyclohexadiene-1,4-dione
- DTXSID401125867
-
- Inchi： 1S/C23H32O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(25)20(24)18-21(23(19)26)27-4-2/h3,6-7,9-10,18,25H,1,4-5,8,11-17H2,2H3/b7-6-,10-9-
- InChI Key： TZHMUUDTNYTFMW-HZJYTTRNSA-N
- SMILES： C1(=O)C=C(OCC)C(=O)C(CCCCCCC/C=C\C/C=C\CC=C)=C1O
Computed Properties
- Exact Mass: 372.23005950g/mol
- Monoisotopic Mass: 372.23005950g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 27
- Rotatable Bond Count: 14
- Complexity: 620
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.4
- Topological Polar Surface Area: 63.6?2
2,5-Cyclohexadiene-1,4-dione, 5-ethoxy-2-hydroxy-3-(8Z,11Z)-8,11,14-pentadecatrien-1-yl- Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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