Naphthalene, decahydro-4a-methyl-1-methylene-7-(1-methylethylidene)-, (4aR-trans)-

Formula: C₁₅H₂₄
Molecular weight: 204.3511
IUPAC Standard InChI: InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h14H,3,5-10H2,1-2,4H3/t14?,15-/m0/s1
IUPAC Standard InChIKey: RMZHSBMIZBMVMN-LOACHALJSA-N
CAS Registry Number: 515-17-3
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:
- (4aR,8aS)-4a-Methyl-1-methylene-7-(propan-2-ylidene)decahydronaphthalene
- Selina-4(15),7(11)-diene
Other names: Eudesma-4(14),7(11)-diene; γ-Selinene; Selina-4(14),7(11)-diene; (4α-trans)-Decahydro-4α-methyl-1-methylene-7-(1-methylethylidene)-naphthalene; Eudesma-4(15),7(11)-diene; Selina-4(15),7(11)-diene
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Other data available:
- Mass spectrum (electron ionization)
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Normal alkane RI, non-polar column, custom temperature program

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	HP-5 MS	DB-5	HP-1	CP-Sil
Column length (m)	60.	30.	30.	25.	30.
Carrier gas	Helium	Helium	Helium		Helium
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.32	0.25
Phase thickness (μm)	1.00	0.25	0.25	0.17	0.25
Program	40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min)	50 0C (1.5 min) 10 0C/min -> 180 0C (2 min) 6 0C/min -> 280 0C (10 min)	50 0C m6 0C/min -> 140 0C 5 0C/min -> 160 0C (1 min) 10 0C/min -> 200 0C	not specified	50 0C (3 min) 3 0C/min -> 100 0C 2.7 0C/min -> 140 0C 2.4 0C/min -> 180 0C 6 0C/min -> 250 0C
I	1530.	1509.	1479.	1438.	1468.
Reference	Miyazaki, Plotto, et al., 2011	Wang, Xu, et al., 2011	Courtois, Paine, et al., 2009	Wetwiayaklung, Thavanapong, et al., 2009	Proffit, 2007
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	CP-Sil	HP-5 MS	HP-5MS	DB-5	CP Sil 5 CB
Column length (m)	30.	30.	30.	30.	25.
Carrier gas	Helium	Helium	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25			0.25
Program	50 0C (3 min) 3 0C/min -> 100 0C 2.7 0C/min -> 140 0C 2.4 0C/min -> 180 0C 6 0C/min -> 250 0C	40 0C (10 min) 3 oC/min -> 200 0C 2 0C/min -> 220 0C	40C(10min) => 3C/min => 200C => 2C/min => 220C	60C(4min) => 6C/min => 240 => 10C/min => 280C	not specified
I	1487.	1474.	1477.	1522.	1532.
Reference	Proffit, 2007	Setzer, Stokes, et al., 2007	Takaku, Haber, et al., 2007	Letchamo, Ward, et al., 2004	Weyerstahl, Marschall, et al., 2000
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

References

Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes

Miyazaki, Plotto, et al., 2011
Miyazaki, T.; Plotto, A.; Goodner, K.; Gmitter F.G., Distribution of aroma volatile compounds in tangerine hybrids and proposed inheritance, J. Sci. Food Agric., 2011, 91, 3, 449-460, https://doi.org/10.1002/jsfa.4205 . [all data]

Wang, Xu, et al., 2011
Wang, J.; Xu, L.; Yang, L.; Liu, Z.; Zhou, L., Composition, antibacterial and antioxidant activities of essential oils from Ligusticum sinense and L. jaholense (Unvelliferae) from China, Rec. Nat. Prod., 2011, 5, 4, 314-318. [all data]

Courtois, Paine, et al., 2009
Courtois, E.A.; Paine, C.E.; Blandinieres, P.-A.; Stien, D.; Bessiere, J.-M.; Houel, E.; Baraloto, C.; Chave, J., Diversity of the volatile organic compounds emitted by 55 species of tropical trees: a survey in French Guiana, J. Chem. Ecol., 2009, 35, 11, 1349-1362, https://doi.org/10.1007/s10886-009-9718-1 . [all data]

Wetwiayaklung, Thavanapong, et al., 2009
Wetwiayaklung, P.; Thavanapong, N.; Charoenteeraboon, J., Chemical constituents and antimicrobial activity os essential oil and extracts of heartwood of Aquilaria crassna obtained from water distillation and supercritical fluid carbon dioxide extraction, Silpakorn U Sci. J., 2009, 3, 1, 25-33. [all data]

Proffit, 2007
Proffit, M., Mediation chimique et structuration des communautes d'hymenopteres parasites du mutualisme figuier / pollinisateur (These pour obtenir le grade de Docteur de l'Universite Montpellier II) (Dissertation), 2007. [all data]

Setzer, Stokes, et al., 2007
Setzer, W.N.; Stokes, S.L.; Penton, A.F.; Takaku, S.; Haber, W.A.; Hansell, E.; Caffrey, C.R.; McKerrow, J.H., Cruzain inhibitory activity of leaf essential oils of neotropical Lauraceae and essential oil components, Natural Product Communications, 2007, 2, 12, 1203-1210. [all data]

Takaku, Haber, et al., 2007
Takaku, S.; Haber, W.A.; Setzer, W.N., Leaf essential oil composition of 10 species of Ocotea (Lauraceae) from Monteverde, Costa Rica, Biochem. Syst. Ecol., 2007, 35, 8, 525-532, https://doi.org/10.1016/j.bse.2007.02.003 . [all data]

Letchamo, Ward, et al., 2004
Letchamo, W.; Ward, W.; Heard, B.; Heard, D., Essential oil of Valeriana officinalis L. cultivars and their antimicrobial activity as influenced by harvesting time under commercial organic cultivation, J. Agric. Food Chem., 2004, 52, 12, 3915-3919, https://doi.org/10.1021/jf0353990 . [all data]

Weyerstahl, Marschall, et al., 2000
Weyerstahl, P.; Marschall, H.; Splittgerber, U.; Wolf, D.; Surburg, H., Constituents of Haitian vetiver oil, Flavour Fragr. J., 2000, 15, 6, 395-412, https://doi.org/10.1002/1099-1026(200011/12)15:6<395::AID-FFJ930>3.0.CO;2-9 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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