Compound Identification
SMILES
CN(CCCCCCCCC(F)(F)C(F)(F)F)CCCCC[C@@H]1CC2=C(C=CC(O)=C2)[C@H]2[C@@H](F)C[C@@]3(C)[C@@H](CCC3=O)[C@H]12
InChIKey
InChIKey=KEHRYDWENVHMFH-CALJZLOZSA-N
Formula
C34H49F6NO2
Mass
617.761
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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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
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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-hydroxysteroids 17-oxosteroids Phenanthrenes and derivatives Tetralins Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Trialkylamines Ketones Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Estrogen-skeleton - 3-hydroxysteroid - 11-halo-steroid - Halo-steroid - Hydroxysteroid - 17-oxosteroid - Oxosteroid - Phenanthrene - Tetralin - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Phenol - Benzenoid - Tertiary aliphatic amine - Ketone - Tertiary amine - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Amine - Organonitrogen compound - Organooxygen compound - Alkyl halide - Aromatic 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