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Structure Information
Structure

Compound Identification

SMILES

CCN1[C@@H]2CC3=CN(C4=CC=CC(=C34)[C@]2(OCC1=O)C=C)S(=O)(=O)C1=C(C=C(C=C1C(C)C)C(C)C)C(C)C

InChIKey

InChIKey=XDHQTTYZUKRGIQ-AKGWNBJDSA-N

Formula

C32H40N2O4S

Mass

548.74

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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 - Oxaergoline skeleton - Benzenesulfonamide - 3-alkylindole - Cumene - Indole - Indole or derivatives - Isoindole or derivatives - Phenylpropane - Benzenesulfonyl group - Alkaloid or derivatives - Monocyclic benzene moiety - Morpholine - Benzenoid - Oxazinane - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkyl ether - Carboxylic acid derivative - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - 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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