Compound Identification
SMILES
N.COC1=C(C=C(C=C1Cl)C(=CCNC(=O)C[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](CC(=O)NCC=C(C5=CC(C(O)=O)=C(OC)C(Cl)=C5)C5=CC(C(O)=O)=C(OC)C(Cl)=C5)CC[C@]4(C)[C@H]3CC[C@]12C)C1=CC(C(O)=O)=C(OC)C(Cl)=C1)C(O)=O
InChIKey
InChIKey=MLAAGGDZANJBKN-RXFRDPLASA-N
Formula
C61H69Cl4N3O14
Mass
1210.03
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
- Subclass Pregnane steroids
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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
Pregnane steroids
Intermediate Tree Nodes
Not available
Direct Parent
Pregnane steroids
Alternative Parents
Tetracarboxylic acids and derivatives Diphenylmethanes O-methoxybenzoic acids and derivatives 3-halobenzoic acids Halobenzoic acids Benzoic acids Styrenes Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Aryl chlorides Secondary carboxylic acid amides Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Pregnane-skeleton - Diphenylmethane - Tetracarboxylic acid or derivatives - O-methoxybenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid - Halobenzoic acid - Benzoic acid - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Anisole - Phenol ether - Styrene - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as pregnane steroids. These are steroids with a structure based on the 21-carbon pregnane skeleton.
External Descriptors
Not available