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Record Information
Version2.0
Created at2022-09-06 15:24:56 UTC
Updated at2022-09-06 15:24:56 UTC
NP-MRD IDNP0233712
Secondary Accession NumbersNone
Natural Product Identification
Common Name(9e)-9-tricosene
Description9-Tricosene belongs to the class of organic compounds known as unsaturated aliphatic hydrocarbons. These are aliphatic Hydrocarbons that contains one or more unsaturated carbon atoms. These compounds contain one or more double or triple bonds. Thus, 9-tricosene is considered to be a hydrocarbon. (9e)-9-tricosene is found in Gryllotalpa orientalis and Pelargonium endlicherianum. (9e)-9-tricosene was first documented in 2020 (PMID: 33314814). Based on a literature review a small amount of articles have been published on 9-tricosene (PMID: 33461336) (PMID: 33147299) (PMID: 32787230).
Structure
Thumb
SynonymsNot Available
Chemical FormulaC23H46
Average Mass322.6210 Da
Monoisotopic Mass322.35995 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
CCCCCCCCCCCCC\C=C\CCCCCCCC
InChI Identifier
InChI=1S/C23H46/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-23H2,1-2H3/b19-17+
InChI KeyIGOWHGRNPLFNDJ-HTXNQAPBSA-N
Experimental Spectra
Not Available
Predicted Spectra
Spectrum TypeDescriptionDepositor IDDepositor OrganizationDepositorDeposition DateView
1D NMR13C NMR Spectrum (1D, 25 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 100 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 252 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 1000 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 50 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 200 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 75 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 300 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 101 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 400 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 126 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 151 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 176 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 700 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 201 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 800 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 226 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 900 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Gryllotalpa orientalisLOTUS Database
Pelargonium endlicherianumLOTUS Database
Chemical Taxonomy
Description Belongs to the class of organic compounds known as unsaturated aliphatic hydrocarbons. These are aliphatic Hydrocarbons that contains one or more unsaturated carbon atoms. These compounds contain one or more double or triple bonds.
KingdomOrganic compounds
Super ClassHydrocarbons
ClassUnsaturated hydrocarbons
Sub ClassUnsaturated aliphatic hydrocarbons
Direct ParentUnsaturated aliphatic hydrocarbons
Alternative Parents
Substituents
  • Unsaturated aliphatic hydrocarbon
  • Olefin
  • Alkene
  • Acyclic olefin
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID4904781
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia Link(Z)-9-Tricosene
METLIN IDNot Available
PubChem Compound6385060
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References
  1. D'auria M, Lorenz R, Mecca M, Racioppi R, Romano VA, Viggiani L: The scent of Neotinea orchids from Basilicata (Southern Italy). Nat Prod Res. 2022 Jul;36(14):3741-3743. doi: 10.1080/14786419.2020.1871343. Epub 2021 Jan 19. [PubMed:33461336 ]
  2. Xu ZH, Liao WC, Liu W, Wang GL: [Chemical composition of body extracts from Apriona germari and its function in sexual communication]. Ying Yong Sheng Tai Xue Bao. 2020 Oct;31(10):3267-3272. doi: 10.13287/j.1001-9332.202010.031. [PubMed:33314814 ]
  3. Rossini C, Rodrigo F, Davyt B, Umpierrez ML, Gonzalez A, Garrido PM, Cuniolo A, Porrini LP, Eguaras MJ, Porrini MP: Sub-lethal effects of the consumption of Eupatorium buniifolium essential oil in honeybees. PLoS One. 2020 Nov 4;15(11):e0241666. doi: 10.1371/journal.pone.0241666. eCollection 2020. [PubMed:33147299 ]
  4. Zeng M, Wilson KR: Efficient Coupling of Reaction Pathways of Criegee Intermediates and Free Radicals in the Heterogeneous Ozonolysis of Alkenes. J Phys Chem Lett. 2020 Aug 20;11(16):6580-6585. doi: 10.1021/acs.jpclett.0c01823. Epub 2020 Aug 3. [PubMed:32787230 ]
  5. LOTUS database [Link]