Compound Identification
SMILES
C[C@]12CC[C@H]3[C@@H](CC=C4C=C(CC[C@]34C)C(O)=O)[C@@H]1CC[C@@H]2OCCC1=CC=C(F)CC1=O
InChIKey
InChIKey=OTUIMYOSUCGMEC-BNWHORPDSA-N
Formula
C28H35FO4
Mass
454.582
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
-
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
Not available
Direct Parent
3-carboxy steroids
Alternative Parents
Androstane steroids Cyclic ketones Vinyl fluorides Monocarboxylic acids and derivatives Fluoroalkenes Dialkyl ethers Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
3-carboxy steroid - Androstane-skeleton - Ketone - Cyclic ketone - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Vinyl fluoride - Vinyl halide - Fluoroalkene - Haloalkene - Organohalogen compound - Organofluoride - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-carboxy steroids. These are steroid compounds that carry a carboxyl group at the C3-atom of the steroid backbone.
External Descriptors
Not available