Compound Identification
SMILES
CC#CCC#CCOC(CCOCCOCCOCCOCCNC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C)OC(=O)CC(O)=O
InChIKey
InChIKey=PLKBRKFCGBPKDY-UHFFFAOYSA-N
Formula
C49H77NO11
Mass
856.151
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
-
Subclass
Cholestane steroids
- Level 5 Cholesterols and 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
Cholesterols and derivatives
Alternative Parents
Delta-5-steroids Dicarboxylic acids and derivatives 1,3-dicarbonyl compounds Carbamate esters Carboxylic acid esters Dialkyl ethers Carboxylic acids Acetals Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Cholesterol - Delta-5-steroid - Dicarboxylic acid or derivatives - 1,3-dicarbonyl compound - Carbamic acid ester - Carboxylic acid ester - Acetal - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as cholesterols and derivatives. These are compounds containing a 3-hydroxylated cholestane core.
External Descriptors
Not available