Compound Identification
SMILES
COC(=O)C1(CC[C@]2(C)C(C)C(=O)C=C3[C@@]2(C)CC[C@H]2C(C)(C)C(=O)[C@]4(Br)O[C@@H]4[C@]32C)CCC(C)(C)CC1
InChIKey
InChIKey=JTOURLGTFUMSDB-RGXZEXCWSA-N
Formula
C32H47BrO5
Mass
591.627
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
-
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 Fatty acid esters Cyclohexenones Methyl esters Alpha-haloketones Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
1-alpha,2-epoxy-3-oxo-5-alpha-steroid - 3-oxo-5-alpha-steroid - Fatty acid ester - Cyclohexenone - Oxepane - Fatty acyl - Alpha-haloketone - Methyl ester - Carboxylic acid ester - Ketone - Cyclic ketone - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Organic oxide - Carbonyl group - Alkyl halide - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organooxygen compound - Organic oxygen compound - Alkyl bromide - 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