Compound Identification
SMILES
C[C@H](CCCC(C)(C)OC(C)=O)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)C=C[C@]4(C)[C@H]3[C@@H](C[C@]12C)OC(C)=O
InChIKey
InChIKey=BVTYLCPNGJAFQG-RXJHUMFOSA-N
Formula
C31H46O5
Mass
498.704
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
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Subclass
Cholestane steroids
- Level 5 Cholesterols and derivatives
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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
Cholesterols and derivatives
Alternative Parents
Steroid esters 3-hydroxy delta-7-steroids 3-hydroxy delta-1-steroids 3-beta-hydroxysteroids Delta-7-steroids Delta-1-steroids Dicarboxylic acids and derivatives Secondary alcohols Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Cholesterol-skeleton - Steroid ester - 3-hydroxy-delta-1-steroid - 3-hydroxy-delta-7-steroid - 3-hydroxysteroid - 3-beta-hydroxysteroid - Hydroxysteroid - Delta-1-steroid - Delta-7-steroid - Dicarboxylic acid or derivatives - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Organooxygen compound - 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