Compound Identification
SMILES
COC(=O)C1C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC[C@]22O[C@@H]2C1=O
InChIKey
InChIKey=HOAXCALWNZDPTE-NHNXKMDDSA-N
Formula
C21H30O5
Mass
362.466
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
- 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
Estrane steroids
Alternative Parents
Oxepanes 1,3-dicarbonyl compounds Methyl esters Secondary alcohols Ketones Cyclic alcohols and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Estrane-skeleton - Oxepane - 1,3-dicarbonyl compound - Cyclic alcohol - Methyl ester - Secondary alcohol - Carboxylic acid ester - Ketone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Oxirane - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Organooxygen compound - Organic oxide - Carbonyl group - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as estrane steroids. These are steroids with a structure based on the estrane skeleton.
External Descriptors
Not available