Cas no 31570-39-5 (1,5,9-Cyclotetradecatriene,1,5,9-trimethyl-12-(1-methylethenyl)-, (1E,5E,9E,12R)-)
31570-39-5 structure
Product Name:1,5,9-Cyclotetradecatriene,1,5,9-trimethyl-12-(1-methylethenyl)-, (1E,5E,9E,12R)-
CAS No:31570-39-5
MF:C20H32
MW:272.468086242676
CID:309762
PubChem ID:5281384
Update Time:2025-04-19
1,5,9-Cyclotetradecatriene,1,5,9-trimethyl-12-(1-methylethenyl)-, (1E,5E,9E,12R)- Chemical and Physical Properties
Names and Identifiers
-
- 1,5,9-Cyclotetradecatriene,1,5,9-trimethyl-12-(1-methylethenyl)-, (1E,5E,9E,12R)-
- (1E,5E,9E,12R)-1,5,9-trimethyl-12-prop-1-en-2-ylcyclotetradeca-1,5,9-triene
- C1086
- Cembrene A
- l-neocembrene
- Neocembrene
- Neocembrene-A
- 1,5,9-Cyclotetradecatriene, 1,5,9-trimethyl-12-(1-methylethenyl)-, [R-(E,E,E)]-
- C09140
- NSC-309918
- NEOCEMBRENE [MI]
- (-)-Cembrene A
- (R)-cembrene A
- VWSPQDDPRITBAM-KPGNMOGWSA-N
- (1E,5E,9E,12R)-1,5,9-trimethyl-12-(prop-1-en-2-yl)cyclotetradeca-1,5,9-triene
- (R,1E,5E,9E)-1,5,9-Trimethyl-12-(prop-1-en-2-yl)cyclotetradeca-1,5,9-triene
- CHEMBL518765
- CHEBI:7501
- CHEBI:82800
- LMPR0104190001
- (1E,5E,9E,12R)-1,5,9-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-1,5,9-triene
- 2WGK4P4230
- Neocembrene A
- 1,5,9-Cyclotetradecatriene, 13-isopropenyl-2,6,10-trimethyl-, (-)-
- Q5058639
- 31570-39-5
- (R)-(-)-Cembrene A
- Cembren A
- UNII-2WGK4P4230
- NSC 309918
- 1,5,9-Cyclotetradecatriene, 1,5,9-trimethyl-12-(1-methylethenyl)-, (R-(E,E,E))-
- 1,5,9-Trimethyl-12-(1-methylethenyl)-1,5,9-cyclotetradecatriene
- 1,5,9-Cyclotetradecatriene, 1,5,9-trimethyl-12-(1-methylethenyl)-, (1E,5E,9E,12R)-
- R-Cembrene A
-
- Inchi： 1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,20H,1,6-7,9-10,13-15H2,2-5H3/b17-8+,18-12+,19-11+/t20-/m0/s1
- InChI Key： VWSPQDDPRITBAM-KPGNMOGWSA-N
- SMILES： [C@H]1(C(=C)C)CC=C(C)CCC=C(C)CCC=C(C)CC1 |c:5,10,15|
Computed Properties
- Exact Mass: 272.25000
- Monoisotopic Mass: 272.25
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 20
- Rotatable Bond Count: 1
- Complexity: 404
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 3
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 0A^2
- XLogP3: 5.9
Experimental Properties
- Density: 0.831
- Boiling Point: bp0.8 150-152°
- Flash Point: 169°C
- Refractive Index: nD30 1.5102
- PSA: 0.00000
- LogP: 6.76190
1,5,9-Cyclotetradecatriene,1,5,9-trimethyl-12-(1-methylethenyl)-, (1E,5E,9E,12R)- Related Literature
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Matthew J. Palframan,Gerald Pattenden Nat. Prod. Rep. 2019 36 108
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2. Neocembrene-A, a termite trail pheromoneA. J. Birch,W. V. Brown,J. E. T. Corrie,B. P. Moore J. Chem. Soc. Perkin Trans. 1 1972 2653
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Dorothea Tholl,Zarley Rebholz,Alexandre V. Morozov,Paul E. O'Maille Nat. Prod. Rep. 2023 40 766
-
Baofu Xu,Wenbo Ning,Xiuting Wei,Jeffrey D. Rudolf Org. Biomol. Chem. 2022 20 8833
-
Yinghua Jin,Robert M. Coates Chem. Commun. 2006 2902
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