Compound Identification
SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@H]2C[C@@H](CCC=C(C3=CC(C(O)=O)=C(O)C(Cl)=C3)C3=CC(C(O)=O)=C(O)C(Cl)=C3)CC[C@]12C
InChIKey
InChIKey=GIROFDPWWWBCCJ-RPNPWPFQSA-N
Formula
C46H62Cl2O6
Mass
781.9
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
Sesterterpenoids Diphenylmethanes Salicylic acids 3-halobenzoic acids Halobenzoic acids Benzoic acids Styrenes O-chlorophenols Benzoyl derivatives Chlorobenzenes Aryl chlorides Dicarboxylic acids and derivatives Vinylogous acids Carboxylic acids Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Cholestane-skeleton - Sesterterpenoid - Diphenylmethane - Hydroxybenzoic acid - Salicylic acid or derivatives - Salicylic acid - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid - Halobenzoic acid - Benzoic acid or derivatives - Benzoic acid - Styrene - Benzoyl - 2-halophenol - 2-chlorophenol - Phenol - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Carboxylic acid derivative - Carboxylic acid - Organohalogen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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