Structure Information
Structure

Compound Identification

SMILES

CC(=O)OC[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](CC[C@]34C)OC(C)=O)[C@]11O[C@@H]1C=C2C(C)=O

InChIKey

InChIKey=DMRYWIIRQKQZBF-KPYWCFQOSA-N

Formula

C25H34O6

Mass

430.541

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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 heteropolycyclic compounds

Substituents

Polycyclic triterpenoid - Triterpenoid - Steroid ester - Naphthopyran - Fatty alcohol ester - Naphthalene - Alpha-branched alpha,beta-unsaturated-ketone - Pyran - Dicarboxylic acid or derivatives - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteropolycyclic 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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