Compound Identification
SMILES
CC1=CC(CC(O)=O)=C(NC2=C(F)C=CC=C2Cl)C=C1.C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(OC(=O)N(CCCl)CCCl)=C4)[C@@H]1CC[C@@H]2OP(O)(O)=O
InChIKey
InChIKey=KVAMINVBDMKXDQ-CUGULWCMSA-N
Formula
C38H45Cl3FN2O8P
Mass
814.11
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
- 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
Estrane steroids
Alternative Parents
Phenanthrenes and derivatives Tetralins Aminotoluenes Aniline and substituted anilines Nitrogen mustard compounds Monoalkyl phosphates Fluorobenzenes Chlorobenzenes Primary aromatic amines Aryl chlorides Aryl fluorides Carbamate esters Amino acids Secondary amines Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Alkyl chlorides
Molecular Framework
Not available
Substituents
Estrane-skeleton - Phenanthrene - Tetralin - Nitrogen mustard - Aniline or substituted anilines - Aminotoluene - Halobenzene - Fluorobenzene - Chlorobenzene - Toluene - Monoalkyl phosphate - Organic phosphoric acid derivative - Monocyclic benzene moiety - Primary aromatic amine - Phosphoric acid ester - Aryl fluoride - Alkyl phosphate - Aryl chloride - Benzenoid - Aryl halide - Carbamic acid ester - Amino acid - Amino acid or derivatives - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Amine - Alkyl halide - Carbonyl group - Alkyl chloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Organochloride - Organic nitrogen compound - Organohalogen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as estrane steroids. These are steroids with a structure based on the estrane skeleton.
External Descriptors
Not available