Compound Identification
SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@H](C[C@]12C)OC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F
InChIKey
InChIKey=AWNCAUIWMWPQMB-WOEDLXMYSA-N
Formula
C28H33F4N3O4
Mass
551.583
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 Gluco/mineralocorticoids, progestogins and derivatives 20-oxosteroids 3-alpha-hydroxysteroids Benzoic acid esters 3-halobenzoic acids and derivatives 2-halobenzoic acids and derivatives Aryl azides Benzoyl derivatives Fluorobenzenes Vinylogous halides Secondary alcohols Organic azides Ketones Cyclic alcohols and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organofluorides Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Triterpenoid - Progestogin-skeleton - Pregnane-skeleton - 20-oxosteroid - 3-alpha-hydroxysteroid - Oxosteroid - Hydroxysteroid - 3-hydroxysteroid - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoate ester - Aryl azide - Benzoic acid or derivatives - Benzoyl - Halobenzene - Fluorobenzene - Benzenoid - Monocyclic benzene moiety - Vinylogous halide - Cyclic alcohol - Organoazide - Secondary alcohol - Organic azide - Ketone - Carboxylic acid ester - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alcohol - Aromatic 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