Structure Information
Structure

Compound Identification

SMILES

COC(=O)CC[C@@H](C)C1CC[C@H]2[C@@H]3CC[C@H]4C=C(O)C(=O)C[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@]12C

InChIKey

InChIKey=QHJRGFNXQJUKPP-ZORQAWJESA-N

Formula

C27H40O6

Mass

460.611

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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 - Monohydroxy bile acid, alcohol, or derivatives - Hydroxy bile acid, alcohol, or derivatives - Bile acid, alcohol, or derivatives - Steroid ester - 2-oxosteroid - Oxosteroid - Hydroxysteroid - 3-hydroxysteroid - Fatty alcohol ester - Cyclohexenone - Fatty acid methyl ester - Fatty acid ester - Fatty acyl - Alpha-branched alpha,beta-unsaturated-ketone - Dicarboxylic acid or derivatives - Alpha,beta-unsaturated ketone - Methyl ester - Enone - Alpha-hydroxy ketone - Acryloyl-group - Cyclic ketone - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen 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

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