Humulenol II

Formula: C₁₅H₂₄O
Molecular weight: 220.3505
IUPAC Standard InChI: InChI=1S/C15H24O/c1-12-7-5-9-13(2)14(16)11-15(3,4)10-6-8-12/h6-7,10,14,16H,2,5,8-9,11H2,1,3-4H3/b10-6+,12-7+/t14-/m0/s1
IUPAC Standard InChIKey: NMGJCQNNUTYSJJ-KCYZJYRFSA-N
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Stereoisomers:
- Humulenol
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Gas Chromatography

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

Kovats' RI, polar column, temperature ramp

Column type	Active phase	I	Reference	Comment
Capillary	Carbowax 20M	2234.	Tressl, Friese, et al., 1978	He, 2. K/min; Column length: 50. m; Column diameter: 0.28 mm; T_start: 70. C; T_end: 190. C
Capillary	Carbowax 20M	2274.	Tressl, Friese, et al., 1978, 2	He, 2. K/min; Column length: 50. m; Column diameter: 0.28 mm; T_start: 70. C; T_end: 190. C

Van Den Dool and Kratz RI, polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	Carbowax 20M	2270.	Peppard and Ramus, 1988	60. m/0.32 mm/0.25 μm; T_start: 40. C; T_end: 230. C
Capillary	Carbowax 20M	2280.	Peppard and Ramus, 1988	60. m/0.32 mm/0.25 μm; T_start: 40. C; T_end: 230. C
Capillary	Carbowax 20M	2282.	Peppard and Ramus, 1988	60. m/0.32 mm/0.25 μm; T_start: 40. C; T_end: 230. C
Capillary	Carbowax 20M	2285.	Peppard and Ramus, 1988	60. m/0.32 mm/0.25 μm; T_start: 40. C; T_end: 230. C

Normal alkane RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	CP Sil 5 CB	1632.	Weyerstahl, Marschall, et al., 1998	N2; Column length: 25. m; Phase thickness: 0.39 μm; Program: not specified

Normal alkane RI, polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	2314.	Weyerstahl, Marschall, et al., 1998	N2; Column length: 60. m; Phase thickness: 0.25 μm; Program: not specified

References

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Tressl, Friese, et al., 1978
Tressl, R.; Friese, L.; Fendesack, F.; Köppler, H., Gas chromatographic--mass spectrometric investigation of hop aroma constituents in beer, J. Agric. Food Chem., 1978, 26, 6, 1422-1426, https://doi.org/10.1021/jf60220a037 . [all data]

Tressl, Friese, et al., 1978, 2
Tressl, R.; Friese, L.; Fendesack, F.; Köppler, H., Studies of the volatile composition of hops during storage, J. Agric. Food Chem., 1978, 26, 6, 1426-1430, https://doi.org/10.1021/jf60220a036 . [all data]

Peppard and Ramus, 1988
Peppard, T.L.; Ramus, S.A., Use of Kovats' gas chromatographic retention indices in beer flavor studies, Am. Soc. Brew. Chem. Proc., 1988, 46, 2, 26-30. [all data]

Weyerstahl, Marschall, et al., 1998
Weyerstahl, P.; Marschall, H.; Thefeld, K.; Subba, G.C., Constituents of the essential oil from the rhizomes of Hedychium gardnerianum Roscoe, Flavour Fragr. J., 1998, 13, 6, 377-388, https://doi.org/10.1002/(SICI)1099-1026(199811/12)13:6<377::AID-FFJ755>3.0.CO;2-F . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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