Compound Identification
SMILES
COC1=C2C(C#CCOC3=CC=C4C5CCC6(C)C(O)C(O)CC6C5CCC4=C3)N(C)CCC2=CC2=C1OCO2
InChIKey
InChIKey=JIJBIRWDXBJAGK-UHFFFAOYSA-N
Formula
C33H39NO6
Mass
545.676
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
-
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
17-hydroxysteroids 16-hydroxysteroids Phenanthrenes and derivatives Tetralins Tetrahydroisoquinolines Benzodioxoles Anisoles Aralkylamines Alkyl aryl ethers Trialkylamines Secondary alcohols Cyclic alcohols and derivatives 1,2-diols Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
17-hydroxysteroid - 16-hydroxysteroid - Hydroxysteroid - Estrane-skeleton - Phenanthrene - Tetralin - Tetrahydroisoquinoline - Benzodioxole - Anisole - Aralkylamine - Alkyl aryl ether - Benzenoid - Cyclic alcohol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - 1,2-diol - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aromatic heteropolycyclic 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