Compound Identification
SMILES
CC(=O)OC1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C#C.CC(CC1=CC2=C(C=C1)C1CC[C@@]3(C)C(CCC3(O)C#C)C1CC2)S(O)(=O)=O
InChIKey
InChIKey=HESCMCKQENPQSO-FSOKOXAQSA-N
Formula
C45H58O7S
Mass
743.01
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
- Subclass Steroid esters
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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
Steroid esters
Intermediate Tree Nodes
Not available
Direct Parent
Steroid esters
Alternative Parents
Estrogens and derivatives 17-hydroxysteroids 3-oxo delta-4-steroids Delta-4-steroids Phenanthrenes and derivatives Tetralins Cyclohexenones Ynones Tertiary alcohols Sulfonyls Organosulfonic acids Alkanesulfonic acids Carboxylic acid esters Cyclic alcohols and derivatives Acetylides Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides
Molecular Framework
Not available
Substituents
Steroid ester - Estrogen-skeleton - 3-oxo-delta-4-steroid - 3-oxosteroid - Estrane-skeleton - Hydroxysteroid - Oxosteroid - 17-hydroxysteroid - Delta-4-steroid - Phenanthrene - Tetralin - Cyclohexenone - Ynone - Benzenoid - Tertiary alcohol - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Alkanesulfonic acid - Cyclic alcohol - Carboxylic acid ester - Cyclic ketone - Ketone - Acetylide - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organosulfur compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Alcohol - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as steroid esters. These are compounds containing a steroid moiety which bears a carboxylic acid ester group.
External Descriptors
Not available