Compound Identification
SMILES
CC(C)C(=C)CC[C@@H](C)[C@H]1CC=C2C3=C([C@@H](O)[C@H](OC(C)=O)[C@]12C)[C@@]1(C)C[C@@H](OC(=O)CNC(=O)OCC2C4=CC=CC=C4C4=CC=CC=C24)[C@H](O)C(C)(C)[C@@H]1CC3
InChIKey
InChIKey=RCAFAUYOCVBJTN-XSJSCAPESA-N
Formula
C49H63NO8
Mass
794.042
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
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Subclass
Ergostane steroids
- Level 5 Ergosterols and derivatives
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Subclass
Ergostane 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
Ergostane steroids
Intermediate Tree Nodes
Not available
Direct Parent
Ergosterols and derivatives
Alternative Parents
Steroid esters 11-beta-hydroxysteroids 3-beta-hydroxysteroids Alpha amino acid esters Fluorenes Dicarboxylic acids and derivatives Carbamate esters Secondary alcohols Organic carbonic acids and derivatives Cyclic alcohols and derivatives Carboxylic acid esters Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Ergosterol-skeleton - Steroid ester - 3-hydroxysteroid - 3-beta-hydroxysteroid - 11-hydroxysteroid - 11-beta-hydroxysteroid - Hydroxysteroid - Alpha-amino acid ester - Fluorene - Alpha-amino acid or derivatives - Dicarboxylic acid or derivatives - Benzenoid - Cyclic alcohol - Carbamic acid ester - Carboxylic acid ester - Secondary alcohol - Carbonic acid derivative - Carboxylic acid derivative - Alcohol - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as ergosterols and derivatives. These are steroids containing ergosta-5,7,22-trien-3beta-ol or a derivative thereof, which is based on the 3beta-hydroxylated ergostane skeleton.
External Descriptors
Not available