Compound Identification
SMILES
C[C@H](CCC(=O)C(C)=C)[C@H]1CC[C@H]2C3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey
InChIKey=AHQSISRIGWKDQV-KIAFMRRQSA-N
Formula
C27H42O2
Mass
398.631
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 Oxosteroids 3-beta-hydroxysteroids 3-beta-hydroxy delta-5-steroids Delta-5-steroids Alpha-branched alpha,beta-unsaturated ketones Enones Acryloyl compounds Secondary alcohols Ketones Cyclic alcohols and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Cholesterol - Cholesterol-skeleton - Cholestane-skeleton - 24-oxosteroid - Monohydroxy bile acid, alcohol, or derivatives - 3-beta-hydroxysteroid - 3-beta-hydroxy-delta-5-steroid - 3-hydroxysteroid - Oxosteroid - Hydroxysteroid - 3-hydroxy-delta-5-steroid - Delta-5-steroid - Alpha-branched alpha,beta-unsaturated-ketone - Alpha,beta-unsaturated ketone - Acryloyl-group - Cyclic alcohol - Enone - Secondary alcohol - Ketone - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Alcohol - Organooxygen compound - 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