Compound Identification
SMILES
COC(=O)CC1CCC2=C(C=CC3=CC=CC=C23)C1(C)C(=O)OC
InChIKey
InChIKey=LDEIBPFXTMSEEQ-UHFFFAOYSA-N
Formula
C20H22O4
Mass
326.392
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
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Steroids and steroid derivatives
Alternative Parents
Hydrophenanthrenes Naphthalenecarboxylic acids and derivatives Tetralins Dicarboxylic acids and derivatives Methyl esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Steroid - Hydrophenanthrene - Phenanthrene - 1-naphthalenecarboxylic acid or derivatives - Naphthalene - Tetralin - Dicarboxylic acid or derivatives - Benzenoid - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as steroids and steroid derivatives. These are compounds based on the cyclopenta[a]phenanthrene carbon skeleton, partially or completely hydrogenated; there are usually methyl groups at C-10 and C-13, and often an alkyl group at C-17. By extension, one or more bond scissions, ring expansions and/or ring contractions of the skeleton may have occurred.
External Descriptors
Not available