Compound Identification
SMILES
C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)[C@@H]5O[C@@H]5[C@]34C)[C@@H]1CCC2=O
InChIKey
InChIKey=CSOPPJRLYYLIIJ-DPJJEVCPSA-N
Formula
C19H26O3
Mass
302.414
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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Class
Steroids and steroid derivatives
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Subclass
Estrane steroids
- Level 5 Estrogens and derivatives
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Subclass
Estrane steroids
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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
Estrane steroids
Intermediate Tree Nodes
Not available
Direct Parent
Estrogens and derivatives
Alternative Parents
1-alpha,2-epoxy-3-oxo-5-alpha-steroids 3-oxo-5-alpha-steroids 17-oxosteroids Oxepanes Ketones Oxacyclic compounds Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Estrogen-skeleton - 1,2-epoxy-3-oxo-steroid - 1-alpha,2-epoxy-3-oxo-5-alpha-steroid - 3-oxosteroid - 17-oxosteroid - Oxosteroid - 3-oxo-5-alpha-steroid - Oxepane - Ketone - Oxacycle - Ether - Oxirane - Dialkyl ether - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic oxide - Carbonyl group - Aldehyde - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as estrogens and derivatives. These are steroids with a structure containing a 3-hydroxylated estrane.
External Descriptors
Not available