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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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Class
Steroids and steroid derivatives
- Subclass Oxosteroids
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Class
Steroids and steroid derivatives
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Superclass
Lipids and lipid-like molecules
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
12-hydroxysteroids 17-hydroxysteroids Phenazines and derivatives Ketals Pyrazines Oxanes Monosaccharides Tetrahydrofurans Tertiary alcohols Heteroaromatic compounds Secondary alcohols Cyclic alcohols and derivatives Ketones Polyols Azacyclic compounds Oxacyclic compounds Dialkyl ethers Primary alcohols Organopnictogen compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides
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