Cas no 161105-12-0 ((-)-callicarpenal)
(-)-callicarpenal structure
Product Name:(-)-callicarpenal
CAS No:161105-12-0
MF:C16H26O
MW:234.377045154572
CID:1995934
PubChem ID:11107286
Update Time:2025-04-21
(-)-callicarpenal Chemical and Physical Properties
Names and Identifiers
-
- (-)-callicarpenal
- 13,14,15,16-tetranor-3-cleroden-12-al
- 13,14,15,16-tetranorclerod-3-en-12-al
- 2-ethanal
- 2-[(4aR,5R,6R,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1,5,6,8-tetramethyl-5-naphthyl]ethanal
- callicarpenal
- [(1S,2R,4aR,8aR)-1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethylnaphthalen-1-yl]acetaldehyde
- 2-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]acetaldehyde
- DTXSID00455470
- CHEMBL2229006
- 1-Naphthaleneacetaldehyde, 1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-, (1S-(1alpha,2beta,4abeta,8aalpha))-
- 1-Naphthaleneacetaldehyde, 1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-, (1S,2R,4aR,8aR)-
- (1S,2R,4aR,8aR)-1,2,3,4,4a,7,8,8a-Octahydro-1,2,4a,5-tetramethyl-1-naphthaleneacetaldehyde
- HX4WCL7DPK
- CHEBI:166993
- Callicarpenal, (-)-
- UNII-HX4WCL7DPK
- 161105-12-0
- SCHEMBL3677724
- 1-NAPHTHALENEACETALDEHYDE, 1,2,3,4,4A,7,8,8A-OCTAHYDRO-1,2,4A,5-TETRAMETHYL-, (1S-(1.ALPHA.,2.BETA.,4A.BETA.,8A.ALPHA.))-
- Q5021997
-
- Inchi： 1S/C16H26O/c1-12-6-5-7-14-15(12,3)9-8-13(2)16(14,4)10-11-17/h6,11,13-14H,5,7-10H2,1-4H3/t13-,14+,15+,16+/m1/s1
- InChI Key： MPWIIQYWQOBNKS-UGUYLWEFSA-N
- SMILES： O=CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@H]12
Computed Properties
- Exact Mass: 234.198365449g/mol
- Monoisotopic Mass: 234.198365449g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 343
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.2
- Topological Polar Surface Area: 17.1?2
(-)-callicarpenal Related Literature
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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