Structure Information
Structure

Compound Identification

SMILES

CO[C@H]1C2=NC3=C(C[C@@]4(C)[C@@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@@]4(C)C5=C[C@@H]5OC6(O[C@](C)(CO)C[C@H]6O)[C@@H](C)[C@]45O)C3)N=C2C[C@@H]2CC[C@@H]3[C@H](CC(=O)C45COC6(OC(C)(C)C[C@H]6O)[C@@H](C)[C@H]4CC=C35)[C@@]12C

InChIKey

InChIKey=HJTADJIVGZRTHF-YKZDJOJRSA-N

Formula

C55H76N2O11

Mass

941.216

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Oxosteroids

Intermediate Tree Nodes

Not available

Direct Parent

Oxosteroids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

23-hydroxysteroid - 12-hydroxysteroid - Hydroxysteroid - 12-oxosteroid - Oxosteroid - 17-hydroxysteroid - Phenazine - Ketal - Monosaccharide - Oxane - Pyrazine - Heteroaromatic compound - Cyclic alcohol - Tetrahydrofuran - Tertiary alcohol - Ketone - Secondary alcohol - Acetal - Polyol - Azacycle - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Primary alcohol - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as oxosteroids. These are steroid derivatives carrying a C=O group attached to steroid skeleton.

External Descriptors

Not available

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