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)CCCSCCCC(F)(F)C(F)(F)F
InChIKey
InChIKey=IDVIRVGRDOOLJX-ZISXNKRVSA-N
Formula
C32H45F6NO2S
Mass
621.77
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 Trialkylamines Ketones Sulfenyl compounds Dialkylthioethers Alkyl fluorides Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Estrogen-skeleton - 17-oxosteroid - Oxosteroid - Hydroxysteroid - Halo-steroid - 2-halo-steroid - 3-hydroxysteroid - Phenanthrene - Tetralin - 2-halophenol - 2-fluorophenol - Phenol - Aralkylamine - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Aryl halide - Aryl fluoride - Tertiary aliphatic amine - Ketone - Tertiary amine - Dialkylthioether - Sulfenyl compound - Thioether - Organosulfur compound - Alkyl fluoride - Alkyl halide - Organic nitrogen compound - Organohalogen compound - Organofluoride - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - 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