Compound Identification
SMILES
CC(=O)C12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CC(=C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C
InChIKey
InChIKey=ITJKVOYMSAHREH-CKNREHLYSA-N
Formula
C25H34O4
Mass
398.543
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Pregnane steroids
Intermediate Tree Nodes
Not available
Direct Parent
Gluco/mineralocorticoids, progestogins and derivatives
Alternative Parents
20-oxosteroids 3-oxo delta-4-steroids Delta-4-steroids Diterpenoids Ketals Cyclohexenones Enones Acryloyl compounds 1,3-dioxolanes Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Progestogin-skeleton - 20-oxosteroid - Diterpenoid - Oxosteroid - 3-oxosteroid - 3-oxo-delta-4-steroid - Delta-4-steroid - Ketal - Cyclohexenone - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Meta-dioxolane - Cyclic ketone - Ketone - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogins and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety.
External Descriptors
Not available