Compound Identification
SMILES
COC1=CC2=C(C[C@H]3[C@@H]4CC[C@H](C(=O)COC(C)=O)[C@@]4(C)CC(=O)[C@@H]3[C@@]2(C)CC1)C#N
InChIKey
InChIKey=QZXOUVMEOXJWJQ-LEWRIBAMSA-N
Formula
C25H31NO5
Mass
425.525
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
- Subclass Vitamin D and derivatives
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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
Vitamin D and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Vitamin D and derivatives
Alternative Parents
Triterpenoids 20-oxosteroids Androstane steroids 11-oxosteroids Alpha-acyloxy ketones Monosaccharides Ketones Carboxylic acid esters Nitriles Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Polycyclic triterpenoid - Triterpenoid - 20-oxosteroid - Androstane-skeleton - Oxosteroid - 11-oxosteroid - Alpha-acyloxy ketone - Monosaccharide - Ketone - Carboxylic acid ester - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as vitamin d and derivatives. These are compounds containing a secosteroid backbone, usually secoergostane or secocholestane.
External Descriptors
Not available