Structure Information
Structure

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)CCC(=O)NO)[C@H](O)C(C)(C)[C@@H]1CC3

InChIKey

InChIKey=PDDGRGIDAMHZDF-DPQHJISKSA-N

Formula

C36H55NO8

Mass

629.835

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Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

Ergosterol-skeleton - Steroid ester - 3-hydroxysteroid - Hydroxysteroid - 3-beta-hydroxysteroid - 11-hydroxysteroid - 11-beta-hydroxysteroid - Dicarboxylic acid or derivatives - Cyclic alcohol - Carboxylic acid ester - Hydroxamic acid - Secondary alcohol - Carboxylic acid derivative - Hydrocarbon derivative - Alcohol - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aliphatic 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

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