Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=C(O)C2=CC=CC=C2C=C1.OCC1=C(O)C=CC(=C1)C(O)CNCCCCCCOCCCCC1=CC=CC=C1.CCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)C3(F)[C@@H](O)C[C@]12C)C(=O)SCF

InChIKey

InChIKey=HGAWNGJWULGUPZ-YGACESMGSA-N

Formula

C61H76F3NO12S

Mass

1104.33

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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 - Androgen-skeleton - Androstane-skeleton - 3-oxo-delta-1,4-steroid - Oxosteroid - 3-oxosteroid - Hydroxysteroid - Halo-steroid - 11-beta-hydroxysteroid - 11-hydroxysteroid - 9-halo-steroid - 6-halo-steroid - Delta-1,4-steroid - 2-naphthalenecarboxylic acid or derivatives - 2-naphthalenecarboxylic acid - 1-naphthol - Hydroxybenzoic acid - Salicylic acid or derivatives - Naphthalene - Benzyl alcohol - Aralkylamine - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Cyclic alcohol - 1,2-aminoalcohol - Carboxylic acid ester - Carbothioic s-ester - Fluorohydrin - Secondary alcohol - Cyclic ketone - Halohydrin - Ketone - Thiocarboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Secondary aliphatic amine - Ether - Secondary amine - Sulfenyl compound - Monocarboxylic acid or derivatives - Thiocarboxylic acid or derivatives - Organic oxide - Organosulfur compound - Organic nitrogen compound - Organonitrogen compound - Organohalogen compound - Organooxygen compound - Carbonyl group - Organofluoride - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Alkyl fluoride - Primary alcohol - Alkyl halide - Amine - Aromatic alcohol - Organopnictogen compound - Aromatic homopolycyclic 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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