Compound Identification
SMILES
COC(=O)C1=C(OC)C(Cl)=CC(=C1)C(=CCNC1CCC2(C)C(CCC3C4CCC(C(C)CCCC(C)C)C4(C)CCC23)C1)C1=CC(C(=O)OC)=C(OC)C(Cl)=C1
InChIKey
InChIKey=ZYQXAHJPKLUZIV-UHFFFAOYSA-N
Formula
C48H67Cl2NO6
Mass
824.97
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
- Subclass Cholestane 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
Cholestane steroids
Intermediate Tree Nodes
Not available
Direct Parent
Cholestane steroids
Alternative Parents
Pregnane-type alkaloids Azasteroids and derivatives Diphenylmethanes O-methoxybenzoic acids and derivatives 3-halobenzoic acids and derivatives Benzoic acid esters Alkaloids and derivatives Styrenes Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Aryl chlorides Dicarboxylic acids and derivatives Methyl esters Amino acids and derivatives Dialkylamines Hydrocarbon derivatives Organopnictogen compounds Organic oxides Organochlorides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Cholestane-skeleton - Pregnane-type alkaloid - Steroidal alkaloid - Azasteroid - Diphenylmethane - O-methoxybenzoic acid or derivatives - Benzoate ester - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Alkaloid or derivatives - Benzoic acid or derivatives - Methoxybenzene - Anisole - Benzoyl - Phenoxy compound - Phenol ether - Styrene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Ether - Secondary aliphatic amine - Secondary amine - Organooxygen compound - Organohalogen compound - Organic oxide - Hydrocarbon derivative - Organochloride - Organic nitrogen compound - Amine - Organopnictogen compound - Organonitrogen compound - Organic oxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as cholestane steroids. These are steroids with a structure containing the 27-carbon cholestane skeleton.
External Descriptors
Not available