Cas no 2472-29-9 (Filicene)
Filicene structure
Product Name:Filicene
CAS No:2472-29-9
MF:C30H50
MW:410.718009471893
CID:278861
PubChem ID:12309888
Update Time:2024-02-29
Filicene Chemical and Physical Properties
Names and Identifiers
-
- A'-Neo-24,25,26,28-tetranorgammacer-3-ene,5,9,13,17-tetramethyl-, (5b,8a,9b,10a,13a,14b,17a,18b)-
- 3-Filicene
- D:A-Friedo-B':A'-neogammacer-3-ene(7CI,8CI)
- Filicene
- DTXSID201118038
- (5beta,8alpha,9beta,10alpha,13alpha,14beta,17alpha,18beta)-5,9,13,17-Tetramethyl-A'-neo-24,25,26,28-tetranorgammacer-3-ene
- (3R,3aR,5aR,5bS,7aS,11aS,11bS,13aS,13bR)-3a,5a,7a,8,11b,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,10,11,11a,12,13,13b-tetradecahydrocyclopenta[a]chrysene
- 2472-29-9
-
- Inchi： 1S/C30H50/c1-20(2)22-12-13-24-27(22,5)16-18-30(8)25-14-15-26(4)21(3)10-9-11-23(26)28(25,6)17-19-29(24,30)7/h10,20,22-25H,9,11-19H2,1-8H3/t22-,23-,24-,25+,26-,27-,28+,29+,30-/m1/s1
- InChI Key： KETZXRQFCKBMKO-GAOOKYTESA-N
- SMILES： [C@@]12(C)CC[C@@]3(C)[C@@H]4CCC=C(C)[C@@]4(C)CC[C@@H]3[C@@]1(C)CC[C@]1(C)[C@@H](C(C)C)CC[C@@H]21
Computed Properties
- Exact Mass: 410.391251595g/mol
- Monoisotopic Mass: 410.391251595g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 30
- Rotatable Bond Count: 1
- Complexity: 745
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 0
- XLogP3: 10.6
Filicene Related Literature
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
5. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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