Structure Information
Structure

Compound Identification

SMILES

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)N(CCC[NH+]=C(O)CCNC(=O)CCNC(=O)C1=CC(C)=C(C=C1)C1=C2C=C(F)C(=O)C=C2OC2=CC([O-])=C(F)C=C12)S(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=ZCMATXDKKPZPQV-CUTWJVPASA-N

Formula

C63H77F2N5O10S

Mass

1134.39

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Cholestane steroids

Intermediate Tree Nodes

Not available

Direct Parent

Cholestane steroids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cholestane-skeleton - Steroidal alkaloid - Pregnane-type alkaloid - Azasteroid - Delta-5-steroid - Xanthene - Dibenzopyran - Beta amino acid or derivatives - 1-benzopyran - Benzopyran - Benzenesulfonamide - Benzenesulfonyl group - M-toluamide - Toluamide - Benzamide - Nitrobenzene - Benzoic acid or derivatives - Alkaloid or derivatives - Nitroaromatic compound - Benzoyl - Toluene - Phenoxide - Aryl fluoride - Benzenoid - Aryl halide - Organosulfonic acid amide - Monocyclic benzene moiety - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Carboxamide group - Cyclic ketone - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboximidic acid derivative - Carboxylic acid derivative - Organic oxoazanium - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic zwitterion - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic salt - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cholestane steroids. These are steroids with a structure containing the 27-carbon cholestane skeleton.

External Descriptors

Not available

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