Compound Identification
SMILES
CCOC(C)=O.CCOC1=C(O)C=C2CCC3C4CCC(OS(=O)OC5CCC6C7CCC8=CC(O)=C(OCC)C=C8C7CCC56C)C4(C)CCC3C2=C1
InChIKey
InChIKey=WDIILFBAERMRLN-UHFFFAOYSA-N
Formula
C44H62O9S
Mass
767.03
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
-
Subclass
Estrane steroids
- Level 5 Estrogens and derivatives
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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
Estrogens and derivatives
Alternative Parents
3-hydroxysteroids Phenanthrenes and derivatives Tetralins Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Estrogen-skeleton - Hydroxysteroid - 3-hydroxysteroid - Phenanthrene - Tetralin - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - Monocarboxylic acid or derivatives - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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