Compound Identification
SMILES
CC(=O)OC[C@]12CC[C@@H](C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](CC[C@]12O)C(=O)COC(=O)CI)OC(C)=O
InChIKey
InChIKey=IIKJWHUZSBAFRB-YKJLZJSLSA-N
Formula
C27H39IO9
Mass
634.504
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 Steroid esters 20-oxosteroids Androstane steroids 14-hydroxysteroids Tricarboxylic acids and derivatives Alpha-acyloxy ketones Monosaccharides Tertiary alcohols Alpha-halocarboxylic acid derivatives Ketones Cyclic alcohols and derivatives Carboxylic acid esters Organoiodides Organic oxides Hydrocarbon derivatives Alkyl iodides
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Triterpenoid - Steroid ester - 20-oxosteroid - Androstane-skeleton - Oxosteroid - Hydroxysteroid - 5-hydroxysteroid - 14-hydroxysteroid - Tricarboxylic acid or derivatives - Alpha-acyloxy ketone - Monosaccharide - Tertiary alcohol - Cyclic alcohol - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid derivative - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organoiodide - Organohalogen compound - Alkyl iodide - Alkyl halide - Alcohol - 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