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]3NC3=C4C=C(C=C3)C(C)C)[C@H]1CC2

InChIKey

InChIKey=RNXSOIIOZNEJBC-CNCQOOCJSA-N

Formula

C28H35NO

Mass

401.594

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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 - 2,3-cyclopentanoindoline - Tetralin - Cumene - Indole or derivatives - Dihydroindole - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Secondary aliphatic/aromatic amine - Benzenoid - Organoheterocyclic compound - Azacycle - Ether - Secondary amine - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen 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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