Structure Information
Structure

Compound Identification

SMILES

C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@@]33C[C@H](OC3O)[C@H]21

InChIKey

InChIKey=QUQBHBRVKLEOEI-UBWIUKTRSA-N

Formula

C21H28O5

Mass

360.45

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Oxepanes

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Oxepanes

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Cyclohexenone - Oxepane - Alpha-hydroxy ketone - Tetrahydrofuran - Hemiacetal - Ketone - Cyclic ketone - Oxacycle - Alcohol - Primary alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as oxepanes. These are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms.

External Descriptors

CHEBI:30834 : 3-oxo steroid
LIPIDMAPS (LMST02030145) : C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives

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