Compound Identification
SMILES
CSC=CC(=O)OC1CC(C)C2(C)CC3=C(OC=C3C)C(O)C2C1
InChIKey
InChIKey=PCGQGFYOHXONPG-UHFFFAOYSA-N
Formula
C19H26O4S
Mass
350.47
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 Vinylogous thioesters Heteroaromatic compounds Furans Enoate esters Acrylic acids and derivatives Thioenol ethers Secondary alcohols Sulfenyl compounds Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Furoeremophilane sesquiterpenoid - Naphthofuran - Benzofuran - Vinylogous thioester - Furan - Acrylic acid or derivatives - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Thioenolether - Secondary alcohol - Carboxylic acid ester - Sulfenyl compound - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Carbonyl group - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Alcohol - Organic oxide - Hydrocarbon derivative - 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