Cas no 91815-31-5 ([12]Gingerdione)
![[12]Gingerdione structure](https://ossimg.kuujia.com/scimg/92000/91815-31-5x500.png)
[12]Gingerdione structure
Product Name:[12]Gingerdione
CAS No:91815-31-5
MF:C23H36O4
MW:376.529547691345
CID:2065927
PubChem ID:86251913
Update Time:2025-04-21
[12]Gingerdione Chemical and Physical Properties
Names and Identifiers
-
- [12]Gingerdione
- 1-(4-Hydroxy-3-methoxyphenyl)-3,5-hexadecanedione, 9CI
- CHEBI:179572
- [12]-Gingerdione
- 1-(4-Hydroxy-3-methoxyphenyl)-3,5-hexadecanedione
- SRGFWRMSKPVJOD-UHFFFAOYSA-N
- 91815-31-5
- 1-(4-Hydroxy-3-methoxyphenyl)hexadecane-3,5-dione
- DTXSID501233764
-
- Inchi： 1S/C23H36O4/c1-3-4-5-6-7-8-9-10-11-12-20(24)18-21(25)15-13-19-14-16-22(26)23(17-19)27-2/h14,16-17,26H,3-13,15,18H2,1-2H3
- InChI Key： SRGFWRMSKPVJOD-UHFFFAOYSA-N
- SMILES： O=C(CC(CCC1C=CC(=C(C=1)OC)O)=O)CCCCCCCCCCC
Computed Properties
- Exact Mass: 376.26135963g/mol
- Monoisotopic Mass: 376.26135963g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 27
- Rotatable Bond Count: 16
- Complexity: 407
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.8
- Topological Polar Surface Area: 63.6?2
[12]Gingerdione Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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