Structure Information
Structure

Compound Identification

SMILES

CO[C@@H]1C\C(=C/C=C2/C[C@@H](O)C[C@H](O)C2=C)[C@@H]2CC[C@H]([C@H](C)CCCC(C)(C)O)[C@@]2(C)C1

InChIKey

InChIKey=VCPAUMJVWKQSBU-UDQTUGLJSA-N

Formula

C28H46O4

Mass

446.672

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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 - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - 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

LIPIDMAPS (LMST03020379) : Vitamin D3 and derivatives

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