Compound Identification
SMILES
COC1=C(C=C(C=C1Cl)C(=CCCCCN[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](C(C)CCCC(C)C)[C@@]4(C)CC[C@H]23)C1)C1=CC(C(O)=O)=C(OC)C(Cl)=C1)C(O)=O
InChIKey
InChIKey=SAXFAOGEFYGIEQ-JHLXFESNSA-N
Formula
C49H69Cl2NO6
Mass
838.99
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
Pregnane-type alkaloids Azasteroids and derivatives Diphenylmethanes O-methoxybenzoic acids and derivatives 3-halobenzoic acids Halobenzoic acids Alkaloids and derivatives Benzoic acids Styrenes Phenoxy compounds Methoxybenzenes Anisoles Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Aryl chlorides Amino acids Dialkylamines Carboxylic acids Organochlorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Cholestane-skeleton - Pregnane-type alkaloid - Steroidal alkaloid - Azasteroid - Diphenylmethane - O-methoxybenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid - Halobenzoic acid - Benzoic acid or derivatives - Benzoic acid - Alkaloid or derivatives - Styrene - Benzoyl - Methoxybenzene - Phenol ether - Phenoxy compound - Anisole - Alkyl aryl ether - Chlorobenzene - Halobenzene - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Amino acid or derivatives - Amino acid - Secondary aliphatic amine - Secondary amine - Ether - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Amine - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - 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