| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-17 19:26:40 UTC |
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| Updated at | 2020-12-07 19:11:52 UTC |
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| CannabisDB ID | CDB005273 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | (-)-β-Pinene |
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| Description | (-)-beta-Pinene, also known as (1S,5S)-b-pinene or L-b-pinene, belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. Thus, (-)-beta-pinene is considered to be an isoprenoid lipid molecule (-)-beta-Pinene is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. (-)-β-Pinene is expected to be in Cannabis as all living plants are known to produce and metabolize it. |
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| Structure | |
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| Synonyms | | Value | Source |
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| (-)-Nopinene | ChEBI | | (-)-Pin-2(10)-ene | ChEBI | | (1S,5S)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane | ChEBI | | (1S,5S)-beta-Pinene | ChEBI | | (1S,5S)-b-Pinene | Generator | | (1S,5S)-Β-pinene | Generator | | (-)-b-Pinene | Generator | | (-)-Β-pinene | Generator | | beta-Pinene | MeSH | | Terbenthene | MeSH | | Terebenthene | MeSH | | (-)-(1S,5S)-beta-Pinene | HMDB | | (-)-2(10)-Pinene | HMDB | | (1S)-(-)-beta-Pinene | HMDB | | (1S,5S)-2(10)-Pinene | HMDB | | (1S,5S)-6,6-Dimethyl-2-methylidenebicyclo[3.1.1]heptane | HMDB | | (1S,5S)-Pin-2(10)-ene | HMDB | | 1S,5S-(-)-beta-Pinene | HMDB | | L-b-Pinene | HMDB | | laevo-b-Pinene | HMDB | | 2(10)-Pinene | PhytoBank | | 6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane | PhytoBank | | (±)-2(10)-Pinene | PhytoBank | | (±)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane | PhytoBank | | (±)-beta-Pinene | PhytoBank | | (±)-β-Pinene | PhytoBank | | Nopinen | PhytoBank | | Nopinene | PhytoBank | | (1S,5S)-(-)-2(10)-Pinene | PhytoBank | | (1S)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane | PhytoBank | | (-)-(1S)-beta-Pinene | PhytoBank | | (-)-(1S)-β-Pinene | PhytoBank | | (-)-(1S,5S)-β-Pinene | PhytoBank | | (-)-beta-Pinene | PhytoBank | | (1S)-(-)-β-Pinene | PhytoBank | | (1S)-beta-Pinene | PhytoBank | | (1S)-β-Pinene | PhytoBank | | (S)-(-)-beta-Pinene | PhytoBank | | (S)-(-)-β-Pinene | PhytoBank | | (S)-beta-Pinene | PhytoBank | | (S)-β-Pinene | PhytoBank | | l-beta-Pinene | PhytoBank | | l-β-Pinene | PhytoBank |
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| Chemical Formula | C10H16 |
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| Average Molecular Weight | 136.23 |
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| Monoisotopic Molecular Weight | 136.1252 |
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| IUPAC Name | (1S,5S)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane |
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| Traditional Name | (-)-β-pinene |
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| CAS Registry Number | 18172-67-3 |
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| SMILES | CC1(C)[C@@H]2C[C@H]1C(=C)CC2 |
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| InChI Identifier | InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m0/s1 |
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| InChI Key | WTARULDDTDQWMU-IUCAKERBSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Prenol lipids |
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| Sub Class | Monoterpenoids |
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| Direct Parent | Bicyclic monoterpenoids |
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| Alternative Parents | |
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| Substituents | - Pinane monoterpenoid
- Bicyclic monoterpenoid
- Branched unsaturated hydrocarbon
- Polycyclic hydrocarbon
- Cyclic olefin
- Unsaturated aliphatic hydrocarbon
- Unsaturated hydrocarbon
- Olefin
- Hydrocarbon
- Aliphatic homopolycyclic compound
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| Molecular Framework | Aliphatic homopolycyclic compounds |
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| External Descriptors | |
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| Ontology |
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| Disposition | Route of exposure: Source: Biological location: |
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| Role | Industrial application: Biological role: |
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| Physical Properties |
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| State | Liquid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | -61 °C | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | logP | Not Available | Not Available |
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| Predicted Properties | [] |
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| EI-MS/GC-MS | | Type | Description | Splash Key | View |
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| GC-MS | (-)-β-Pinene, non-derivatized, GC-MS Spectrum | splash10-002f-9000000000-30fa40ae82c24567182c | Spectrum | | GC-MS | (-)-β-Pinene, non-derivatized, GC-MS Spectrum | splash10-002f-9000000000-30fa40ae82c24567182c | Spectrum | | Predicted GC-MS | (-)-β-Pinene, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0079-1900000000-7a8b637e362b2868237d | Spectrum | | Predicted GC-MS | (-)-β-Pinene, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | | Predicted GC-MS | (-)-β-Pinene, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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| MS/MS | | Type | Description | Splash Key | View |
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| Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-000i-0900000000-e26a5aa072ee3c657bb1 | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-000i-0900000000-9ce03af98198cbec9a56 | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00dr-0900000000-83547c837f75972195a6 | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-0900000000-ae6e9f2df0d7b06fe3be | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-000i-0900000000-5e150dd4370565464dad | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-014r-0900000000-45b2edf143e15a1e5867 | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-0900000000-a013b4ae27f975ab5621 | 2021-09-22 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-000i-0900000000-a013b4ae27f975ab5621 | 2021-09-22 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-000i-0900000000-7260f27ae84d64a57ad4 | 2021-09-22 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-000i-0900000000-32bfa268614bcd6c4f81 | 2021-09-23 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-000i-0900000000-32bfa268614bcd6c4f81 | 2021-09-23 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-059i-0900000000-b224f82915803ce924fc | 2021-09-23 | View Spectrum |
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