Compound Identification
SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(=C4)C(O)=O)[C@@H]1CC[C@@H]2C(=O)CC1CCCCC1
InChIKey
InChIKey=XIDAFKXIONSYKZ-CXBVJKJKSA-N
Formula
C27H36O3
Mass
408.582
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
-
Subclass
Steroid acids
-
Level 5
3-carboxy steroids
- Level 6 3-carboxy-20-oxosteroids
-
Level 5
3-carboxy steroids
-
Subclass
Steroid acids
-
Class
Steroids and steroid derivatives
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Steroid acids
Intermediate Tree Nodes
3-carboxy steroids
Direct Parent
3-carboxy-20-oxosteroids
Alternative Parents
20-oxosteroids Estrane steroids Phenanthrenes and derivatives Naphthalenecarboxylic acids Tetralins Ketones Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
3-carboxy-20-oxosteroid - 20-oxosteroid - Oxosteroid - Estrane-skeleton - Phenanthrene - 2-naphthalenecarboxylic acid or derivatives - 2-naphthalenecarboxylic acid - Tetralin - Benzenoid - Ketone - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organic oxide - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-carboxy-20-oxosteroids. These are steroid compounds that carry a carboxyl group and a C=O group at the C3- and C20-positions of the steroid backbone, respectively.
External Descriptors
Not available