Compound Identification
SMILES
C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@@]33C[C@H](OC3O)[C@H]21
InChIKey
InChIKey=QUQBHBRVKLEOEI-UBWIUKTRSA-N
Formula
C21H28O5
Mass
360.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Oxepanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Oxepanes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Oxepanes
Alternative Parents
Cyclohexenones Tetrahydrofurans Alpha-hydroxy ketones Hemiacetals Oxacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cyclohexenone - Oxepane - Alpha-hydroxy ketone - Tetrahydrofuran - Hemiacetal - Ketone - Cyclic ketone - Oxacycle - Alcohol - Primary alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as oxepanes. These are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms.
External Descriptors
CHEBI:30834 :
3-oxo steroid
LIPIDMAPS (LMST02030145) :
C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives