Compound Identification
SMILES
CS\C=C/C(=O)OC1C[C@H](C)[C@@]2(C)CC(=C(C)C)C(=O)C[C@H]2C1
InChIKey
InChIKey=HDHDUJDLKYTRAS-ARZWYJGESA-N
Formula
C19H28O3S
Mass
336.49
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
Vinylogous thioesters Enoate esters Acrylic acids and derivatives Thioenol ethers Cyclic ketones Sulfenyl compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Eremophilane sesquiterpenoid - Vinylogous thioester - Enoate ester - Acrylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Ketone - Thioenolether - Cyclic ketone - Sulfenyl compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organosulfur compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aliphatic homopolycyclic 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