Compound Identification
SMILES
CC(C)CCCC(C)[C@H]1CCC2C3CC[C@H]4C[C@@H](CCC=C(C5=CC(C(O)=O)=C(OCC6=CC=CC(=C6)B(O)O)C(Cl)=C5)C5=CC(C(O)=O)=C(OCC6=CC=CC(=C6)B(O)O)C(Cl)=C5)CC[C@]4(C)C3CC[C@]12C
InChIKey
InChIKey=YCGYDQNYDGYIQL-RRRDGAGMSA-N
Formula
C59H74B2Cl2O10
Mass
1035.75
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
Diphenylmethanes 3-halobenzoic acids Halobenzoic acids Benzoic acids Styrenes Phenoxy compounds Benzoyl derivatives Phenol ethers Alkyl aryl ethers Chlorobenzenes Aryl chlorides Boronic acids Carboxylic acids Organic metalloid salts Organometalloid compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Cholestane-skeleton - Diphenylmethane - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid - Halobenzoic acid - Benzoic acid - Benzoic acid or derivatives - Styrene - Phenol ether - Phenoxy compound - Benzoyl - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Monocyclic benzene moiety - Benzenoid - Boronic acid derivative - Boronic acid - Carboxylic acid - Carboxylic acid derivative - Organic metalloid salt - Ether - Organic oxygen compound - Organic metalloid moeity - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen 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