alpha-Cedrene
| Compound Structure: |
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| Synonyms: | (-)-alpha-cedrene;ALPHA-CEDRENE;Cedr-8-ene;469-61-4;Cedrene;.alpha.-Cedrene;(-)-cedrene;(-)-.alpha.-Cedrene;1H-3a,7-Methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-,(3R,3aS,7S,8aS)-;DTXSID0047032;50D4A81G8T | ||||||||||||||||||||||||||||||||||||
| Compound ID: | NMPC-577 | ||||||||||||||||||||||||||||||||||||
| PubChem ID: | |||||||||||||||||||||||||||||||||||||
| Molecular Formula: | C15H24 | ||||||||||||||||||||||||||||||||||||
| Canonical SMILES: | CC1CCC2C13CC=C(C(C3)C2(C)C)C | ||||||||||||||||||||||||||||||||||||
| InChIKey: | IRAQOCYXUMOFCW-OSFYFWSMSA-N | ||||||||||||||||||||||||||||||||||||
| About the compound: | Cedr-8-ene, also known as cedrane with a double bond between positions 8 and 9, is a sesquiterpene compound with specific structural characteristics. Here are some key points about cedr-8-ene and related compounds: Chemical Structure: Cedr-8-ene is classified as a sesquiterpene and is derived from cedrane. It is characterized by the presence of a double bond between carbon atoms 8 and 9 in the molecular structure. This double bond imparts unique properties to the compound. Natural Occurrence: Cedr-8-ene is found in nature as a component of the essential oil obtained from cedar trees. It is one of the compounds responsible for the characteristic aroma and properties of cedarwood essential oil. Isomers: In addition to cedr-8-ene, cedarwood essential oil contains other isomers and related compounds. Two significant isomers found in cedarwood essential oil are (−)-α-cedrene and (+)-β-cedrene. These isomers differ in the position of their double bonds within the cedrane structure. Volatile Oil Component: Cedr-8-ene, along with other compounds in cedarwood essential oil, contributes to its volatile and aromatic nature. Cedarwood essential oil is known for its pleasant woody and earthy scent. Metabolite: Cedr-8-ene has been identified as a human urinary metabolite, suggesting that it may play a role in the metabolism of certain compounds in the body. Overall, cedr-8-ene is a sesquiterpene with specific structural features that contribute to its aromatic properties. It is commonly found in cedarwood essential oil and is used in various applications, including perfumery and aromatherapy, due to its pleasing fragrance. GHS Hazard Statements • H226 (24.76%): Flammable liquid and vapor [Warning Flammable liquids] • H304 (97.14%): May be fatal if swallowed and enters airways [Danger Aspiration hazard] • H400 (99.81%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] • H410 (97.52%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] |
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| Properties: |
Chemical
and Physical Properties Computed
Properties
Source: PubChem |
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| Source Species: |
Tithonia diversifolia Zingiber officinale Tithonia rotundifolia Brachystegia eurycoma Taxodium distichum Acalypha segetalis |