(5R,6R)-3,6-Dimethyl-5-(prop-1-en-2-yl)-6-vinyl-6,7-dihydrobenzofuran-4(5H)-one
- Formula: C15H18O2
- Molecular weight: 230.3022
- IUPAC Standard InChIKey: ZVMJXSJCBLRAPD-UKRRQHHQSA-N
- CAS Registry Number: 20493-56-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Stereoisomers:
- Other names: 4(5H)-Benzofuranone, 6-ethenyl-6,7-dihydro-3,6-dimethyl-5-(1-methylethenyl)-, (5R,6R)-; 4(5H)-Benzofuranone, 6,7-dihydro-5?-isopropenyl-3,6?-dimethyl-6-vinyl-; 4(5H)-Benzofuranone, 6-ethenyl-6,7-dihydro-3,6-dimethyl-5-(1-methylethenyl)-, trans-; 4(5H)-Benzofuranone, 6-ethenyl-6,7-dihydro-3,6-dimethyl-5-(1-methylethenyl)-; Curzerenone
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Gas Chromatography
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | BP-1 | 1574. | Srivastava, Srivastava, et al., 2006 | 30. m/0.32 mm/0.25 μm, N2, 5. K/min, 220. C @ 3. min; Tstart: 60. C |
Capillary | BP-1 | 1576. | Raina, Srivastava, et al., 2002 | 25. m/0.55 mm/0.25 μm, N2, 5. K/min, 220. C @ 15. min; Tstart: 60. C |
Capillary | Methyl Silicone | 1595.5 | Rao, Rajanikanth, et al., 1989 | 4. K/min, 250. C @ 15. min; Column length: 12. m; Column diameter: 0.5 mm; Tstart: 70. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5MS | 1609.6 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxane with 5 % Ph | 1590. | Priya, Prathapan, et al., 2012 | Helium, 5. K/min, 200. C @ 25. min; Column length: 30. m; Tstart: 80. C |
Capillary | DB-1 | 1610. | Facundo, Pinto, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 5. K/min, 250. C @ 15. min |
Capillary | DB-5MS | 1568. | Marongiu, Piras, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 30. min, 3. K/min; Tend: 280. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CP Sil 5 CB | 1599. | Phan, Van, et al., 1998 | N2; Column length: 25. m; Program: not specified |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CP-Wax 52CB | 2278. | Mau, Lai, et al., 2003 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 220. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 2240. | Phan, Van, et al., 1998 | Program: not specified |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Srivastava, Srivastava, et al., 2006
Srivastava, A.K.; Srivastava, S.K.; Syamsundar, K.V.,
Volatile composition of Curcuma angustifolia Roxb. rhizome from central and southern India,
Flavour Fragr. J., 2006, 21, 3, 423-426, https://doi.org/10.1002/ffj.1680
. [all data]
Raina, Srivastava, et al., 2002
Raina, V.K.; Srivastava, S.K.; Jain, N.; Ahmad, A.; Syamasundar, K.V.; Aggarwal, K.K.,
Essential oil composition of Curcuma longa L. cv. Roma from the plains of northern India,
Flavour Fragr. J., 2002, 17, 2, 99-102, https://doi.org/10.1002/ffj.1053
. [all data]
Rao, Rajanikanth, et al., 1989
Rao, A.S.; Rajanikanth, B.; Seshadri, R.,
Volatile aroma components of Curcuma amada Roxb.,
J. Agric. Food Chem., 1989, 37, 3, 740-743, https://doi.org/10.1021/jf00087a036
. [all data]
Andriamaharavo, 2014
Andriamaharavo, N.R.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]
Priya, Prathapan, et al., 2012
Priya, R.; Prathapan, A.; Raghu, K.G.; Menon, A.N.,
Chemical composition and in vitro antioxidative potential of essential oil isolated from Curcuma longa L. leaves,
Asian Pacific Journal of Tropical Biomedicine, 2012, 2, 2, s695-s699, https://doi.org/10.1016/S2221-1691(12)60298-6
. [all data]
Facundo, Pinto, et al., 2005
Facundo, V.A.; Pinto, A.C.; Rezende, C.M.,
Aroma compounds and volatile chemical composition of Ruellia menthoides (Nees) Hiern,
Flavour Fragr. J., 2005, 20, 1, 93-95, https://doi.org/10.1002/ffj.1380
. [all data]
Marongiu, Piras, et al., 2005
Marongiu, B.; Piras, A.; Porcedda, S.; Scorciapino, A.,
Chemical composition of the essential oil and supercritical CO2 extract of Commiphora myrrha (Nees) Engl. and of Acorus calamus L.,
J. Agric. Food Chem., 2005, 53, 20, 7939-7943, https://doi.org/10.1021/jf051100x
. [all data]
Phan, Van, et al., 1998
Phan, M.G.; Van, N.H.; Phan, T.S.,
Sesquiterpenoids fron the rhizomes of Curcuma aff. aeruginosa Roxb. of Vietnam,
Tap chi Hoa hoc, 1998, 36, 3, 67-72. [all data]
Mau, Lai, et al., 2003
Mau, J.-L.; Lai, E.Y.C.; Wang, N.-P.; Chen, C.-C.; Chang, C.-H.; Chyau, C.-C.,
Composition and antioxidant activity of the essential oil from Curcuma zedoaria,
Food Chem., 2003, 82, 4, 583-591, https://doi.org/10.1016/S0308-8146(03)00014-1
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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