Structure Information
Structure

Compound Identification

SMILES

O\C=C1/CC[C@@H](C(O)=O)[C@]23C=C[C@@H]4[C@H](CC[C@]44C[C@@H]5CC[C@@H](C[C@H]5C4)c4ccccc4)[C@@]45[C@H](CCC[C@@]24CCC2=C5C[C@@]45C=CC[C@]67CC#CC[C@@H](C8=C9C=CC=CC9=C[C@H](C8=C4)[C@]2(CC[C@@H]6O)[C@@H]57)c2cccc(c2)C2=CC=C(NC2)NCCC[C@H]1C1CCCCC1)[C@H]3O

InChIKey

InChIKey=IKEYONPATLWENN-VCIPULMLSA-N

Formula

C87H100N2O5

Mass

1253.766

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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 heteropolycyclic compounds

Substituents

Xanthophyll - Carotenoid - Ergostane-skeleton - Retinoic acid - Polyprenol skeleton - 8,9-secoeremophilane skeleton - Stilbene - Short-chain hydroxy acid - Hydroxy fatty acid - Heterocyclic fatty acid - Dihydropyridine - Branched fatty acid - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Cyclic alcohol - Amino acid - Secondary alcohol - Amino acid or derivatives - Haloacetylene or derivatives - Azacycle - Organoheterocyclic compound - Secondary amine - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aromatic 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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