Compound Identification
SMILES
COC(=O)C1=CC(COC(=O)C2=C(OCC3=CC=CC(=C3)C(=O)OC)C(Cl)=CC(=C2)C(=CCC[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CC[C@H]([C@H](C)CCCC(C)C)[C@@]5(C)CC[C@H]34)C2)C2=CC(C(=O)OCC3=CC=CC(=C3)C(=O)OC)=C(OCC3=CC=CC(=C3)C(=O)OC)C(Cl)=C2)=CC=C1
InChIKey
InChIKey=OTAVFLOMHJYVMA-DHSOJYCKSA-N
Formula
C81H92Cl2O14
Mass
1360.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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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
Hexacarboxylic acids and derivatives Diphenylmethanes 3-halobenzoic acids and derivatives Benzoic acid esters Benzyloxycarbonyls Styrenes Phenoxy compounds Benzoyl derivatives Phenol ethers Chlorobenzenes Alkyl aryl ethers Aryl chlorides Methyl esters Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Cholestane-skeleton - Hexacarboxylic acid or derivatives - Diphenylmethane - Benzoate ester - Benzyloxycarbonyl - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Styrene - Phenol ether - Phenoxy compound - Alkyl aryl ether - Chlorobenzene - Halobenzene - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Methyl ester - Carboxylic acid ester - Ether - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organochloride - 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