(-)-Oplopanone
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(-)-Oplopanone
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CAS No:
1911-78-0
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Formula:
C15H26O2
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Chemical Name:
(-)-Oplopanone
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Synonyms:
Ethanone,1-[(1S,3aR,4R,7S,7aS)-octahydro-4-hydroxy-4-methyl-7-(1-methylethyl)-1H-inden-1-yl]-;Oplopanone;Ketone,3aα,4,5,6,7,7aβ-hexahydro-4α-hydroxy-7β-isopropyl-4-methyl-1β-indanyl methyl,(-)-;Ethanone,1-[octahydro-4-hydroxy-4-methyl-7-(1-methylethyl)-1H-inden-1-yl]-,[1S-(1α,3aβ,4β,7α,7aα)]-;1-[(1S,3aR,4R,7S,7aS)-Octahydro-4-hydroxy-4-methyl-7-(1-methylethyl)-1H-inden-1-yl]ethanone;Oplopanon;(-)-Oplopanone;10α-Hydroxyoplopan-4-one;108654-34-8
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CAS No:
Characteristics
37.30000
3.09
0.995±0.06 g/cm3(Predicted)
96-97 °C
336.7±25.0 °C(Predicted)
143.2±15.8 °C
1.487
Analysis Methods
| Name | Column Shape | Active Phase(℃) | Retention index | Temperature Control | Method | Comments | Reference |
|---|---|---|---|---|---|---|---|
| Kovats' RI, non-polar column, temperature ramp | Capillary | DB-5 | 1702. | temperature ramp | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 240. C @ 30. min; Tstart: 60. C | Marongiu, B.Piras, A.Pani, F.Porcedda, S.Ballero, M.Extraction, separation and isolation of essential oils from natural matrices by supercritical CO2Flavour Fragr. J.2003, 18, 6, 505-509. | |
| Kovats' RI, non-polar column, temperature ramp | Capillary | DB-5 | 1700. | temperature ramp | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 240. C @ 30. min; Tstart: 60. C | Marongiu, B.Piras, A.Pani, F.Porcedda, S.Ballero, M.Extraction, separation and isolation of essential oils from natural matrices by supercritical CO2Flavour Fragr. J.2003, 18, 6, 505-509. | |
| Kovats' RI, non-polar column, temperature ramp | Capillary | DB-5 | 1734. | temperature ramp | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 240. C | da Silva, M.H.L.Zoghbi, M.G.B.Andrade, E.H.A.Maia, J.G.S.The essential oils of Peperomia pellucida Kunth and P. circinnata link var. circinnataFlavour Fragr. J.1999, 14, 5, 312-314. | |
| Kovats' RI, non-polar column, temperature ramp | Capillary | DB-5 | 1700. | temperature ramp | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 250. C @ 20. min | Senatore, F.Urrunaga Soria, E.Urrunaga Soria, R.Porta, G.D.de Feo, V.Essential oil from two peruvian Satureja speciesFlavour Fragr. J.1998, 13, 1, 1-4. | |
| Kovats' RI, non-polar column, temperature ramp | Capillary | DB-5 | 1700. | temperature ramp | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 250. C @ 20. min | Senatore, F.Volatile constituents of Minthostachys setosa (Briq.) Epl. (Lamiaceae) from PeruFlavour Fragr. J.1998, 13, 4, 263-265. |
Computed Properties
Molecular Weight:238.37
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:238.193280068
Monoisotopic Mass:238.193280068
Topological Polar Surface Area:37.3
Heavy Atom Count:17
Complexity:310
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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