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13190-97-1 | 2,6,10,14,18,22,26,30,34-Hexatriacontanonaen-1-ol, 3,7,11,15,19,23,27,31,35-nonamethyl-, (2E,6E,10E,14E,18E,22E,26E,30E)-
CAS No: 13190-97-1 Catalog No: AG000ZW3 MDL No:MFCD00070279
Product Description
Catalog Number:
AG000ZW3
Chemical Name:
2,6,10,14,18,22,26,30,34-Hexatriacontanonaen-1-ol, 3,7,11,15,19,23,27,31,35-nonamethyl-, (2E,6E,10E,14E,18E,22E,26E,30E)-
CAS Number:
13190-97-1
Molecular Formula:
C45H74O
Molecular Weight:
631.0685
MDL Number:
MFCD00070279
IUPAC Name:
(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-ol
InChI:
InChI=1S/C45H74O/c1-37(2)19-11-20-38(3)21-12-22-39(4)23-13-24-40(5)25-14-26-41(6)27-15-28-42(7)29-16-30-43(8)31-17-32-44(9)33-18-34-45(10)35-36-46/h19,21,23,25,27,29,31,33,35,46H,11-18,20,22,24,26,28,30,32,34,36H2,1-10H3/b38-21+,39-23+,40-25+,41-27+,42-29+,43-31+,44-33+,45-35+
InChI Key:
AFPLNGZPBSKHHQ-MEGGAXOGSA-N
SMILES:
OC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)\C)\C)\C)\C)\C
EC Number:
603-532-7
UNII:
FF31XTR2N4
NSC Number:
299938
Properties
Complexity:
1100
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
8
Exact Mass:
630.574g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
631.086g/mol
Monoisotopic Mass:
630.574g/mol
Rotatable Bond Count:
25
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
15.9
Literature
| Title | Journal |
|---|---|
| Solanesol Biosynthesis in Plants. | Molecules (Basel, Switzerland) 20170401 |
| Solanesol protects human hepatic L02 cells from ethanol-induced oxidative injury via upregulation of HO-1 and Hsp70. | Toxicology in vitro : an international journal published in association with BIBRA 20150401 |
| Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine. | Bioorganic & medicinal chemistry 20121115 |
| Coenzyme Q(10) production by immobilized Sphingomonas sp. ZUTE03 via a conversion-extraction coupled process in a three-phase fluidized bed reactor. | Enzyme and microbial technology 20120210 |
| Solanesol: added value from Solanaceous waste. | Phytochemistry 20110801 |
| Coenzyme Q10 production by Sphingomonas sp. ZUTE03 with novel precursors isolated from tobacco waste in a two-phase conversion system. | Journal of microbiology and biotechnology 20110501 |
| Environmental tobacco smoke exposure among casino dealers. | Journal of occupational and environmental medicine 20110401 |
| Coenzyme Q(10) production directly from precursors by free and gel-entrapped Sphingomonas sp. ZUTE03 in a water-organic solvent, two-phase conversion system. | Applied microbiology and biotechnology 20110101 |
| A novel method for analyzing solanesyl esters in tobacco leaves using atmospheric pressure chemical ionization/mass spectrometer. | Journal of chromatography. A 20100910 |
| A solanesol-derived scaffold for multimerization of bioactive peptides. | The Journal of organic chemistry 20100903 |
| Recovery of solanesol from tobacco as a value-added byproduct for alternative applications. | Bioresource technology 20100201 |
| Synthesis and evaluation of solanesol derivatives as novel potent synergistic agents. | Journal of Asian natural products research 20091101 |
| Chemical analysis of cigarette smoke particulate generated in the MSB-01 in vitro whole smoke exposure system. | Inhalation toxicology 20091001 |
| Estimating smokers' mouth-level exposure to select mainstream smoke constituents from discarded cigarette filter butts. | Nicotine & tobacco research : official journal of the Society for Research on Nicotine and Tobacco 20090701 |
| Role of polyisoprenoids in tobacco resistance against biotic stresses. | Physiologia plantarum 20090401 |
| Novel class of hybrid natural products as antidiabetic agents. | Natural product research 20090101 |
| Environmental tobacco smoke (ETS) evaluation of a third-generation electrically heated cigarette smoking system (EHCSS). | Regulatory toxicology and pharmacology : RTP 20081101 |
| [Isolation, characterization and fermentation condition of coenzyme Q10 producing strain with solanesol as precursor]. | Wei sheng wu xue bao = Acta microbiologica Sinica 20080201 |
| Continuous counter current extraction, isolation and determination of solanesol in Nicotiana tobacum L. by non-aqueous reversed phase high performance liquid chromatography. | Journal of pharmaceutical and biomedical analysis 20080122 |
| Optimization of HPLC-APCI-MS conditions for the qualitative and quantitative determination of total solanesol in tobacco leaves. | Journal of separation science 20080101 |
| Solid-phase synthesis of solanesol. | Journal of combinatorial chemistry 20080101 |
| [Isolation and purification of solanesol from potato leaves by high-speed counter-current chromatography and identification by atmospheric pressure chemical ionization mass spectrometry]. | Se pu = Chinese journal of chromatography 20070701 |
| Separation of solanesol in tobacco leaves extract by slow rotary counter-current chromatography using a novel non-aqueous two-phase solvent system. | Journal of chromatography. A 20070601 |
| Rapid and quantitative determination of solanesol in Nicotiana tabacum by liquid chromatography-tandem mass spectrometry. | Journal of pharmaceutical and biomedical analysis 20070509 |
| Comparison of general rate model with a new model--artificial neural network model in describing chromatographic kinetics of solanesol adsorption in packed column by macroporous resins. | Journal of chromatography. A 20070323 |
| Possible role of ammonia on the deposition, retention, and absorption of nicotine in humans while smoking. | Chemical research in toxicology 20070301 |
| Rapid determination of total solanesol in tobacco leaf by ultrasound-assisted extraction with RP-HPLC and ESI-TOF/MS. | Journal of pharmaceutical and biomedical analysis 20070219 |
| Influence of five organic antifouling candidates on spore attachment and germination of a fouling alga Ulva pertusa. | Journal of environmental biology 20070101 |
| Microwave-assisted extraction of solanesol from tobacco leaves. | Journal of chromatography. A 20060929 |
| Rapid determination of solanesol in tobacco by high-performance liquid chromatography with evaporative light scattering detection following microwave-assisted extraction. | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20060501 |
| Identification of oxidation products of solanesol produced during air sampling for tobacco smoke by electrospray mass spectrometry and HPLC. | The Analyst 20051001 |
| Biosynthetic pathway for the C45 polyprenol, solanesol, in tobacco. | Bioscience, biotechnology, and biochemistry 20040901 |
| On the deposition of volatiles and semivolatiles from cigarette smoke aerosols: relative rates of transfer of nicotine and ammonia from particles to the gas phase. | Chemical research in toxicology 20040801 |
| The effect of tobacco blend additives on the retention of nicotine and solanesol in the human respiratory tract and on subsequent plasma nicotine concentrations during cigarette smoking. | Chemical research in toxicology 20040401 |
| Development of a method to assess cigarette smoke intake. | Environmental science & technology 20040101 |
| [Study of solanesol adsorbed on platinum electrode by surface enhanced Raman scattering]. | Guang pu xue yu guang pu fen xi = Guang pu 20030601 |
| A general stereocontrolled, convergent synthesis of oligoprenols that parallels the biosynthetic pathway. | Journal of the American Chemical Society 20020320 |
| [Determination of solanesol in the extracts of tobacco leaves by high performance liquid chromatography]. | Se pu = Chinese journal of chromatography 20010901 |
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