Compound Identification
SMILES
CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey
InChIKey=IVVQZKHUQOPDBT-SHSUOONFSA-N
Formula
C28H42O2
Mass
410.642
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
-
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-oxo delta-7-steroids Delta-7-steroids Cyclohexenones Secondary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Ergosterol-skeleton - 3-oxo-delta-7-steroid - 3-oxosteroid - 6-hydroxysteroid - Oxosteroid - Hydroxysteroid - Delta-7-steroid - Cyclohexenone - Cyclic ketone - Secondary alcohol - Ketone - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organooxygen compound - 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