Structure Information
Structure

Compound Identification

SMILES

C[C@H](CCCC(O)(C1=CC=CC=C1)C1=CC=CC=C1)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C

InChIKey

InChIKey=OXXBKFFJWAXMCY-CORMLKSPSA-N

Formula

C37H48O3

Mass

540.788

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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

Aromatic homopolycyclic compounds

Substituents

Triterpenoid - Diphenylmethane - Benzenoid - Monocyclic benzene moiety - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Alcohol - Aromatic 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 (LMST03020543) : Vitamin D3 and derivatives

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