Cas no 547-23-9 (b,y-Carotene, 3',4'-didehydro-)
547-23-9 structure
Product Name:b,y-Carotene, 3',4'-didehydro-
b,y-Carotene, 3',4'-didehydro- Chemical and Physical Properties
Names and Identifiers
-
- b,y-Carotene, 3',4'-didehydro-
- 3',4'-Didehydro-b,y-carotene
- 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaenyl]-1,3,3-trimethylcyclohexene
- torulene
- DTXSID901029634
- .BETA.,.PSI.-CAROTENE, 3,4-DIDEHYDRO-
- Torulin
- UNII-7KKR9CWX9P
- (3'E)-3',4'-didehydro-beta,psi-carotene
- 3',4'-Didehydro-beta,psi-carotene
- (3'Z)-3',4'-Didehydro-beta,psi-carotene
- 3,4-DIDEHYDRO-.BETA.,.PSI.-CAROTENE
- CHEBI:9638
- ALL-TRANS-TORULENE
- 547-23-9
- .GAMMA.-CAROTENE, 3,4-DIDEHYDRO-, ALL-TRANS-
- 2-((1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E)-3,7,12,16,20,24-HEXAMETHYLPENTACOSA-1,3,5,7,9,11,13,15,17,19,21,23-DODECAENYL)-1,3,3-TRIMETHYLCYCLOHEXENE
- 7KKR9CWX9P
- Q7827444
- C08613
- LMPR01070088
- beta,psi-Carotene, 3',4'-didehydro-
-
- Inchi： 1S/C40H54/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-16,18-27,29-30H,17,28,31H2,1-10H3/b12-11+,21-13+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+
- InChI Key： AIBOHNYYKWYQMM-MXBSLTGDSA-N
- SMILES： C1(C)(C)C(/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C)/C)/C)=C(C)CCC1
Computed Properties
- Exact Mass: 448.318875
- Monoisotopic Mass: 448.318875
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 32
- Rotatable Bond Count: 0
- Complexity: 758
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 13
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 79.2
- XLogP3: 14.6
Experimental Properties
- Density: 0.92
- Melting Point: 183-184 °C
- Boiling Point: 669.6°Cat760mmHg
- Flash Point: 353.6°C
- Refractive Index: 1.555
b,y-Carotene, 3',4'-didehydro- Related Literature
-
1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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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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