Structure Information
Structure

Compound Identification

SMILES

CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C(=O)C=CC4=CC(=CC=C4)[N+]([O-])=O)[C@@H]3CC=C2C1

InChIKey

InChIKey=NJTDPGNBYCUNCW-RUVHYARKSA-N

Formula

C30H37NO5

Mass

491.628

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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 - Steroid ester - 20-oxosteroid - Androstane-skeleton - Oxosteroid - Delta-5-steroid - Nitrobenzene - Nitroaromatic compound - Benzenoid - Monocyclic benzene moiety - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Organic nitro compound - C-nitro compound - Ketone - Carboxylic acid ester - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic hyponitrite - 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

Not available

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