Compound Identification
SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](CCC=C(C5=CC(C(O)=O)=C(O)C(Br)=C5)C5=CC(C(O)=O)=C(O)C(Br)=C5)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey
InChIKey=KJPSQWLXDLOKTD-ZFQBPCNVSA-N
Formula
C45H60Br2O6
Mass
856.777
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
-
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 Salicylic acids Halobenzoic acids Benzoic acids Styrenes Benzoyl derivatives O-bromophenols Bromobenzenes Dicarboxylic acids and derivatives Aryl bromides Vinylogous acids Carboxylic acids Organic oxides Organobromides Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Cholestane-skeleton - 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-bromophenol - Halobenzene - Phenol - Bromobenzene - Aryl bromide - Dicarboxylic acid or derivatives - Aryl halide - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Carboxylic acid - Carboxylic acid derivative - Organohalogen compound - Organobromide - 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