Compound Identification
SMILES
COC1=CC2=C(C=C1)[C@H]1CC[C@@]3(C)[C@@H](C[C@@H](CNCC4=CC=C(Cl)C=C4)[C@@H]3OS(=O)(=O)C3=CC=C(C)C=C3)[C@@H]1CC2
InChIKey
InChIKey=VSSATBYGXNNIEV-XKOJEJJYSA-N
Formula
C34H40ClNO4S
Mass
594.21
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
- Subclass Estrane steroids
-
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
Estrane steroids
Alternative Parents
Phenanthrenes and derivatives p-Methylbenzenesulfonates Benzenesulfonate esters Tosyl compounds Tetralins Arylsulfonic acids and derivatives Benzenesulfonyl compounds Anisoles Phenylmethylamines Benzylamines Chlorobenzenes Aralkylamines Alkyl aryl ethers Organosulfonic acid esters Aryl chlorides Sulfonyls Dialkylamines Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Estrane-skeleton - Phenanthrene - Benzenesulfonate ester - P-methylbenzenesulfonate - Tetralin - Benzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Anisole - Benzylamine - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Toluene - Chlorobenzene - Halobenzene - Organosulfonic acid ester - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary amine - Ether - Secondary aliphatic amine - Organic oxide - Organic oxygen compound - Organohalogen compound - Amine - Organochloride - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organosulfur 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