Compound Identification
SMILES
[H][C@@]1(C)C(CC[C@]2([H])[C@]1([H])[C@]([H])(O)C(=O)[C@]1([H])[C@@](C)(CCC[C@@]21C)C(=O)OC)=CC(=O)O[C@]1([H])CC[C@@]2(C)[C@]3([H])CCC(=CC(O)=NCCO)[C@@]([H])(C)[C@@]3([H])[C@]([H])(O)C(=O)[C@]2([H])[C@]1(C)C(=O)OC
InChIKey
InChIKey=UAFQYOMYWQRHQW-OSBVRMPUSA-N
Formula
C44H63NO12
Mass
797.983
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
- Subclass Oxosteroids
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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
Oxosteroids
Intermediate Tree Nodes
Not available
Direct Parent
Oxosteroids
Alternative Parents
6-hydroxysteroids 7-oxosteroids Diterpenoids Hydrophenanthrenes Tricarboxylic acids and derivatives Enoate esters Methyl esters Secondary alcohols Cyclic alcohols and derivatives Ketones Propargyl-type 1,3-dipolar organic compounds Carboximidic acids Alkanolamines Organopnictogen compounds Primary alcohols Hydrocarbon derivatives Organic oxides
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Cassane diterpenoid - Diterpenoid - 6-hydroxysteroid - Hydroxysteroid - Oxosteroid - 7-oxosteroid - Hydrophenanthrene - Phenanthrene - Tricarboxylic acid or derivatives - Cyclic alcohol - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Secondary alcohol - Ketone - Carboxylic acid ester - Alkanolamine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid derivative - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Alcohol - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Primary alcohol - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as oxosteroids. These are steroid derivatives carrying a C=O group attached to steroid skeleton.
External Descriptors
Not available