Compound Identification
SMILES
CN(CCCCC[C@@H]1CC2=CC(O)=C(F)C=C2[C@H]2CC[C@@]3(C)[C@@H](CCC3=O)[C@H]12)CCCS(=O)(=O)CCCC(F)(F)C(F)(F)F
InChIKey
InChIKey=JXEUWQZUNNRLII-ZISXNKRVSA-N
Formula
C32H45F6NO4S
Mass
653.77
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
17-oxosteroids 3-hydroxysteroids Halogenated steroids Phenanthrenes and derivatives Tetralins O-fluorophenols 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Aryl fluorides Sulfones Trialkylamines Ketones Hydrocarbon derivatives Organofluorides Alkyl fluorides Organic oxides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Estrogen-skeleton - 3-hydroxysteroid - 2-halo-steroid - Halo-steroid - Hydroxysteroid - 17-oxosteroid - Oxosteroid - Phenanthrene - Tetralin - 2-halophenol - 2-fluorophenol - Phenol - Aralkylamine - 1-hydroxy-2-unsubstituted benzenoid - Aryl fluoride - Aryl halide - Benzenoid - Sulfonyl - Sulfone - Tertiary amine - Tertiary aliphatic amine - Ketone - Alkyl halide - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Organosulfur compound - Carbonyl group - Alkyl fluoride - Organic nitrogen compound - Amine - Organonitrogen compound - Organohalogen compound - Organofluoride - 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