Compound Identification
SMILES
CC(C)C(=O)O[C@@H]1C2=C(OC=C2C)C(=O)[C@@H]2CC[C@H](OC(C)=O)[C@@H](C)[C@@]12C
InChIKey
InChIKey=IJCGYKJLAZFDNU-MMCJOOFPSA-N
Formula
C21H28O6
Mass
376.449
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 Benzofurans Aryl alkyl ketones Dicarboxylic acids and derivatives Heteroaromatic compounds Furans Carboxylic acid esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Furoeremophilane sesquiterpenoid - Naphthofuran - Benzofuran - Aryl alkyl ketone - Aryl ketone - Dicarboxylic acid or derivatives - Heteroaromatic compound - Furan - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - 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