Structure Information
Structure

Compound Identification

SMILES

OCC1=C(O)C=CC(=C1)[C@@H](O)CNCCCCCCOCCOCC1=C(Cl)C=CC=C1Cl.C[C@@H]1C[C@H]2C3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)C1=CC=CO1)C(=O)SCF

InChIKey

InChIKey=IVFHIIPWLILHCX-KVXXQBCDSA-N

Formula

C51H62Cl2F3NO11S

Mass

1025.01

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Steroid esters

Intermediate Tree Nodes

Not available

Direct Parent

Steroid esters

Alternative Parents

Molecular Framework

Not available

Substituents

Steroid ester - Diterpenoid - Androgen-skeleton - Androstane-skeleton - 11-hydroxysteroid - 11-beta-hydroxysteroid - Oxosteroid - Hydroxysteroid - Halo-steroid - 6-halo-steroid - 9-halo-steroid - 3-oxosteroid - 3-oxo-delta-1,4-steroid - Delta-1,4-steroid - Furoic acid ester - Benzylether - Furoic acid or derivatives - 1,3-dichlorobenzene - Benzyl alcohol - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Fatty acyl thioester - Phenol - Halobenzene - Chlorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Furan - Enone - Cyclic alcohol - Acryloyl-group - Carbothioic s-ester - Cyclic ketone - Thiocarboxylic acid ester - Secondary alcohol - Ketone - Halohydrin - Fluorohydrin - Carboxylic acid ester - 1,2-aminoalcohol - Oxacycle - Organoheterocyclic compound - Sulfenyl compound - Thiocarboxylic acid or derivatives - Secondary amine - Monocarboxylic acid or derivatives - Ether - Secondary aliphatic amine - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Alcohol - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as steroid esters. These are compounds containing a steroid moiety which bears a carboxylic acid ester group.

External Descriptors

Not available

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