Compound Identification
SMILES
C[C@H](CCC=C(C1=CC(C(O)=O)=C(O)C(Cl)=C1)C1=CC(C(O)=O)=C(O)C(Cl)=C1)[C@H]1CCC2C3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@]12C
InChIKey
InChIKey=MLJQDAQOLCARAK-OJUOBODWSA-N
Formula
C39H48Cl2O9
Mass
731.7
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Steroids and steroid derivatives
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Subclass
Cholestane steroids
- Level 5 Cholesterols and derivatives
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Subclass
Cholestane 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
Cholestane steroids
Intermediate Tree Nodes
Not available
Direct Parent
Cholesterols and derivatives
Alternative Parents
12-hydroxysteroids 3-alpha-hydroxysteroids 7-hydroxysteroids Diphenylmethanes 3-halobenzoic acids Salicylic acids Halobenzoic acids Benzoic acids Benzoyl derivatives Styrenes O-chlorophenols Chlorobenzenes Dicarboxylic acids and derivatives Aryl chlorides Vinylogous acids Cyclic alcohols and derivatives Secondary alcohols Carboxylic acids Polyols Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Cholesterol - Cholesterol-skeleton - 3-hydroxysteroid - Hydroxysteroid - 12-hydroxysteroid - 7-hydroxysteroid - 3-alpha-hydroxysteroid - Diphenylmethane - Salicylic acid or derivatives - Salicylic acid - 3-halobenzoic acid - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid - Hydroxybenzoic acid - Benzoic acid - Benzoic acid or derivatives - Benzoyl - Styrene - 2-halophenol - 2-chlorophenol - Phenol - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Vinylogous acid - Cyclic alcohol - Secondary alcohol - Polyol - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Alcohol - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as cholesterols and derivatives. These are compounds containing a 3-hydroxylated cholestane core.
External Descriptors
Not available