Cas no 426823-13-4 (2-[(1'-hydroxy-2'-ene-3'-phenyl) propenylene]-5-methoxy-4,6,6-trimethyl-1,3-cyclohexene(4,5)-diketone)
![2-[(1'-hydroxy-2'-ene-3'-phenyl) propenylene]-5-methoxy-4,6,6-trimethyl-1,3-cyclohexene(4,5)-diketone structure](https://ossimg.kuujia.com/scimg/427000/426823-13-4x500.png)
426823-13-4 structure
Product Name:2-[(1'-hydroxy-2'-ene-3'-phenyl) propenylene]-5-methoxy-4,6,6-trimethyl-1,3-cyclohexene(4,5)-diketone
CAS No:426823-13-4
MF:C19H20O4
MW:312.359705924988
CID:2054462
PubChem ID:6478368
Update Time:2025-04-21
2-[(1'-hydroxy-2'-ene-3'-phenyl) propenylene]-5-methoxy-4,6,6-trimethyl-1,3-cyclohexene(4,5)-diketone Chemical and Physical Properties
Names and Identifiers
-
- 2-[(1'-hydroxy-2'-ene-3'-phenyl) propenylene]-5-methoxy-4,6,6-trimethyl-1,3-cyclohexene(4,5)-diketone
- desmosdumotin C
- (2E)-2-[(E)-1-hydroxy-3-phenyl-prop-2-enylidene]-5-methoxy-4,6,6-trimethyl-cyclohex-4-ene-1,3-dione
- MLS000728509
- HMS2226O08
- LMPK12120421
- SMR000445623
- 3-hydroxy-5-methoxy-4,6,6-trimethyl-2-[(E)-3-phenylprop-2-enoyl]cyclohexa-2,4-dien-1-one
- CHEMBL53628
- 4-Cyclohexene-1,3-dione, 2-[(2E)-1-hydroxy-3-phenyl-2-propenylidene]-5-methoxy-4,6,6-trimethyl-, (2E)-
- 426823-13-4
- SCHEMBL13033999
- CHEBI:185120
- 3-hydroxy-5-methoxy-4,6,6-trimethyl-2-((E)-3-phenylprop-2-enoyl)cyclohexa-2,4-dien-1-one
-
- Inchi： 1S/C19H20O4/c1-12-16(21)15(17(22)19(2,3)18(12)23-4)14(20)11-10-13-8-6-5-7-9-13/h5-11,20H,1-4H3
- InChI Key： TYOLMDXXIKMMEZ-UHFFFAOYSA-N
- SMILES： OC(C=CC1C=CC=CC=1)=C1C(=O)C(C)(C)C(OC)=C(C)C1=O
Computed Properties
- Exact Mass: 312.13615911Da
- Monoisotopic Mass: 312.13615911Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 4
- Complexity: 599
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.851
- Topological Polar Surface Area: 63.6?2
2-[(1'-hydroxy-2'-ene-3'-phenyl) propenylene]-5-methoxy-4,6,6-trimethyl-1,3-cyclohexene(4,5)-diketone Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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