Compound Identification
SMILES
C[C@]12CC[C@H]3[C@@H](C[C@@H]4SC[C@@]33CCC(=O)C=C43)[C@@H]1CC[C@@H]2C(=O)CO
InChIKey
InChIKey=NGHUCMWHOHVZPY-HRUPCHJUSA-N
Formula
C21H28O3S
Mass
360.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Thiepanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thiepanes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Thiepanes
Alternative Parents
Cyclohexenones Thiolanes Alpha-hydroxy ketones Dialkylthioethers Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cyclohexenone - Thiepane - Alpha-hydroxy ketone - Thiolane - Ketone - Cyclic ketone - Thioether - Dialkylthioether - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Alcohol - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as thiepanes. These are organic compounds containing a heptane ring in which one carbon atom is replaced by a sulfur atom.
External Descriptors
Not available