Compound Identification
SMILES
CC(C)C(=O)OC1C2=C(OC=C2C)C(=O)C2[C@@H](O)CC[C@H](C)[C@@]12C
InChIKey
InChIKey=AXTBBOHGQOEWMH-UPTIQHFUSA-N
Formula
C19H26O5
Mass
334.412
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Sesquiterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids
Alternative Parents
Naphthofurans Fatty alcohol esters Benzofurans Furoic acid and derivatives Aryl alkyl ketones b'-hydroxy-alpha,beta-unsaturated ketones Cyclohexenones Beta-hydroxy ketones Alpha-branched alpha,beta-unsaturated ketones Heteroaromatic compounds Enones Acryloyl compounds Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Furoeremophilane sesquiterpenoid - Naphthofuran - Fatty alcohol ester - Benzofuran - Furoic acid or derivatives - Aryl alkyl ketone - Aryl ketone - Cyclohexenone - B'-hydroxy-alpha,beta-unsaturated-ketone - Alpha-branched alpha,beta-unsaturated-ketone - Beta-hydroxy ketone - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Furan - Enone - Cyclic alcohol - Acryloyl-group - Secondary alcohol - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids. These are sesquiterpenoids with a structure based either on the eremophilane skeleton, its 8,9-seco derivative, or the furoeremophilane skeleton. Eremophilanes have been shown to be derived from eudesmanes by migration of the methyl group at C-10 to C-5.
External Descriptors
Not available