Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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