Structure Information
Structure

Compound Identification

SMILES

COC1=CC2=C(C=C1)[C@H]1CC[C@@]3(C)[C@@H](C[C@@H]4[C@H]3ON=C4C3=CC=C(C=C3)[N+]([O-])=O)[C@@H]1CC2

InChIKey

InChIKey=BHELGLKJJVROFI-IXQLFXCPSA-N

Formula

C26H28N2O4

Mass

432.52

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Steroids and steroid derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Steroid - Phenanthrene - Tetralin - Nitrobenzene - Nitroaromatic compound - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Isoxazoline - Organic nitro compound - C-nitro compound - Azacycle - Organoheterocyclic compound - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Oxacycle - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as steroids and steroid derivatives. These are compounds based on the cyclopenta[a]phenanthrene carbon skeleton, partially or completely hydrogenated; there are usually methyl groups at C-10 and C-13, and often an alkyl group at C-17. By extension, one or more bond scissions, ring expansions and/or ring contractions of the skeleton may have occurred.

External Descriptors

Not available

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