Compound Identification
SMILES
COc1c(Cl)cc(cc1C(O)=O)C(=CCCCCN([C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]23)C1)C(=O)C=C(c1cc(Cl)c(OC)c(c1)C(O)=O)c1cc(Cl)c(OC)c(c1)C(O)=O)c1cc(Cl)c(OC)c(c1)C(O)=O
InChIKey
InChIKey=AIVNYOIGHCPISM-IBUMIZNRSA-N
Formula
C68H81Cl4NO13
Mass
1262.19
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
- Subclass Cholestane steroids
-
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 Tetracarboxylic acids and derivatives Diphenylmethanes Cinnamic acids and derivatives O-methoxybenzoic acids and derivatives 3-halobenzoic acids Halobenzoic acids Alkaloids and derivatives Benzoic acids Methoxybenzenes Phenoxy compounds Benzoyl derivatives Styrenes Anisoles Chlorobenzenes Alkyl aryl ethers Aryl chlorides Tertiary carboxylic acid amides Carboxylic acids Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Carbonyl compounds Organochlorides Organic oxides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Cholestane-skeleton - Pregnane-type alkaloid - Steroidal alkaloid - Azasteroid - Diphenylmethane - Tetracarboxylic acid or derivatives - Cinnamic acid or derivatives - O-methoxybenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Halobenzoic acid - 3-halobenzoic acid - Benzoic acid - Benzoic acid or derivatives - Alkaloid or derivatives - Styrene - Phenol ether - Phenoxy compound - Benzoyl - Anisole - Methoxybenzene - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid - Carboxylic acid derivative - Ether - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - 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