Compound Identification
SMILES
CC(C)CCCC(C)C1CCC2C3C(Br)C4OC44CC(CCC4(C)C3CCC12C)OC(C)=O
InChIKey
InChIKey=CXYNGAZRRAUJIO-UHFFFAOYSA-N
Formula
C29H47BrO3
Mass
523.596
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
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Subclass
Cholestane steroids
- Level 5 Cholesterols and derivatives
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Subclass
Cholestane 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
Cholestane steroids
Intermediate Tree Nodes
Not available
Direct Parent
Cholesterols and derivatives
Alternative Parents
Steroid esters Halogenated steroids 5,6-epoxysteroids Oxepanes Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cholesterol - Steroid ester - 7-halo-steroid - Halo-steroid - 5,6-epoxysteroid - Oxepane - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Alkyl halide - Hydrocarbon derivative - Carbonyl group - Alkyl bromide - Organic oxygen compound - Organohalogen compound - Organobromide - Organooxygen compound - Organic oxide - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cholesterols and derivatives. These are compounds containing a 3-hydroxylated cholestane core.
External Descriptors
Not available