Compound Identification
SMILES
CC(CCl)CCC(=O)C(C)C1C(=O)CC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
InChIKey
InChIKey=BVOGBHPKEJQUOQ-BVVPNEQFSA-N
Formula
C27H41ClO3
Mass
449.07
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Bile acids, alcohols and derivatives
Intermediate Tree Nodes
Hydroxy bile acids, alcohols and derivatives
Direct Parent
Monohydroxy bile acids, alcohols and derivatives
Alternative Parents
Cholesterols and derivatives Halogenated steroids 3-beta-hydroxysteroids 3-beta-hydroxy delta-5-steroids 16-oxosteroids Delta-5-steroids Secondary alcohols Cyclic ketones Cyclic alcohols and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Cholesterol-skeleton - Cholesterol - Cholestane-skeleton - Monohydroxy bile acid, alcohol, or derivatives - 22-oxosteroid - 21-oxosteroid - 3-beta-hydroxysteroid - 3-beta-hydroxy-delta-5-steroid - Oxosteroid - 16-oxosteroid - Hydroxysteroid - Halo-steroid - 26-halo-steroid - 3-hydroxysteroid - 3-hydroxy-delta-5-steroid - Delta-5-steroid - Cyclic alcohol - Cyclic ketone - Secondary alcohol - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Alcohol - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as monohydroxy bile acids, alcohols and derivatives. These are bile acids, alcohols or any of their derivatives bearing a hydroxyl group.
External Descriptors
Not available