Structure Information
Structure

Compound Identification

SMILES

C[C@H](CCC=C(C)C)[C@@H]1CC[C@@H]2C3=CC[C@H]4[C@@H]([C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C([O-])=O

InChIKey

InChIKey=BWHPOOZLIGPHHL-BLFNOOJGSA-M

Formula

C28H43O3

Mass

427.65

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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 - Cholesterol-skeleton - Cholesterol - Cholestane-skeleton - 3-beta-hydroxysteroid-4-alpha-carboxylate - 3-beta-hydroxysteroid - Hydroxysteroid - 3-hydroxysteroid - 3-hydroxy-delta-7-steroid - Delta-7-steroid - Short-chain hydroxy acid - Hydroxy fatty acid - Branched fatty acid - Beta-hydroxy acid - Fatty acyl - Hydroxy acid - Cyclic alcohol - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - Organic anion - 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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