Compound Identification
SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=C(Br)C(=O)CC[C@H]34)[C@@H]1CC[C@@H]2O
InChIKey
InChIKey=AYZGVGDSHHIXQT-YGRHGMIBSA-N
Formula
C18H25BrO2
Mass
353.3
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
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Subclass
Estrane steroids
- Level 5 Estrogens and derivatives
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Subclass
Estrane steroids
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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
Estrane steroids
Intermediate Tree Nodes
Not available
Direct Parent
Estrogens and derivatives
Alternative Parents
Halogenated steroids 3-oxo delta-4-steroids 17-hydroxysteroids Delta-4-steroids Cyclohexenones Alpha-branched alpha,beta-unsaturated ketones Enones Alpha-haloketones Acryloyl compounds Secondary alcohols Cyclic alcohols and derivatives Vinyl bromides Bromoalkenes Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Estrogen-skeleton - 17-hydroxysteroid - Oxosteroid - Hydroxysteroid - Halo-steroid - 4-halo-steroid - 3-oxosteroid - 3-oxo-delta-4-steroid - Delta-4-steroid - Cyclohexenone - Alpha-branched alpha,beta-unsaturated-ketone - Alpha-haloketone - Alpha,beta-unsaturated ketone - Enone - Cyclic alcohol - Acryloyl-group - Cyclic ketone - Secondary alcohol - Ketone - Bromoalkene - Haloalkene - Vinyl halide - Vinyl bromide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Alcohol - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as estrogens and derivatives. These are steroids with a structure containing a 3-hydroxylated estrane.
External Descriptors
Not available