Structure Information
Structure

Compound Identification

SMILES

CC(C)CCCC(C)[C@@H]1CCC2[C@H]3CCC4(C)CC5=C(C[C@@]4(C)C3CC[C@@]12C)C(=O)CC1C2CCCCC2CCN51

InChIKey

InChIKey=VDOPMXGFMAMATN-BAPQNEGGSA-N

Formula

C39H63NO

Mass

561.939

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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

Triterpenoid - Cholestane-skeleton - Naphthylisoquinoline - Naphthalene - Isoquinoline - Tetrahydropyridine - Alpha-branched alpha,beta-unsaturated-ketone - Piperidine - Beta-aminoketone - Vinylogous amide - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Tertiary aliphatic amine - Tertiary amine - Ketone - Azacycle - Organoheterocyclic compound - Enamine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - 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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