Compound Identification
SMILES
C[C@H]1[C@@H]2CC[C@]3(C)C(=CC(=O)C(C)[C@@]3(C)CCC3(CCC(C)(C)CC3)NC(=O)C(C)(F)F)[C@@]2(C)[C@H]2O[C@@]2(C#N)C1=O
InChIKey
InChIKey=DTKLJVRZSQLHFY-PADDRWIHSA-N
Formula
C33H46F2N2O4
Mass
572.738
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Steroids and steroid derivatives
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Subclass
Oxosteroids
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Level 5
3-oxosteroids
- Level 6 1,2-epoxy-3-oxosteroids
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Level 5
3-oxosteroids
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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
3-oxosteroids - 1,2-epoxy-3-oxosteroids
Direct Parent
1-alpha,2-epoxy-3-oxo-5-alpha-steroids
Alternative Parents
3-oxo-5-alpha-steroids Oxepanes Cyclohexenones Secondary carboxylic acid amides Oxacyclic compounds Nitriles Epoxides Dialkyl ethers Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
1-alpha,2-epoxy-3-oxo-5-alpha-steroid - 3-oxo-5-alpha-steroid - Oxepane - Cyclohexenone - Carboxamide group - Ketone - Secondary carboxylic acid amide - Cyclic ketone - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Carbonitrile - Nitrile - Oxacycle - Organoheterocyclic compound - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Alkyl fluoride - Alkyl halide - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-alpha,2-epoxy-3-oxo-5-alpha-steroids. These are 3-oxo-5-alpha-steroids sharing the carbon atoms C1 and C2 wit an epoxide ring to form a 1-alpha,2-epoxy moiety.
External Descriptors
Not available