Compound Identification
SMILES
CC(C)[C@](O)(CO)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
InChIKey
InChIKey=PSEDMQVSQOXMMD-ZOOVEXQISA-N
Formula
C28H44O3
Mass
428.657
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
Dihydroxy bile acids, alcohols and derivatives
Alternative Parents
Ergosterols and derivatives Hydroxysteroids 3-oxo delta-1,4-steroids Delta-1,4-steroids Fatty alcohols Tertiary alcohols Cyclic ketones 1,2-diols Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Ergostane-skeleton - Ergosterol-skeleton - 25-hydroxysteroid - Dihydroxy bile acid, alcohol, or derivatives - 24-hydroxysteroid - 3-oxo-delta-1,4-steroid - 3-oxosteroid - Oxosteroid - Delta-1,4-steroid - Fatty alcohol - Fatty acyl - Tertiary alcohol - 1,2-diol - Cyclic ketone - Ketone - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Carbonyl group - Alcohol - Organic oxide - Organic oxygen compound - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as dihydroxy bile acids, alcohols and derivatives. These are compounds containing or derived from a bile acid or alcohol, and which bears exactly two carboxylic acid groups.
External Descriptors
Not available