Compound Identification
SMILES
CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@]4(O)CC(=O)CC[C@@]4(C)[C@H]3CC[C@@]12C
InChIKey
InChIKey=WRDZSRNTPLFBER-JEPZXVLISA-N
Formula
C28H46O3
Mass
430.673
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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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
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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
Ergostane steroids
Intermediate Tree Nodes
Not available
Direct Parent
Ergosterols and derivatives
Alternative Parents
6-hydroxysteroids 3-oxosteroids Tertiary alcohols Secondary alcohols Cyclic ketones Cyclic alcohols and derivatives 1,2-diols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Ergosterol-skeleton - Oxosteroid - Hydroxysteroid - 5-hydroxysteroid - 6-hydroxysteroid - 3-oxosteroid - Tertiary alcohol - Cyclic alcohol - Cyclic ketone - Secondary alcohol - Ketone - 1,2-diol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - 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