Compound Identification
SMILES
CC(C)(O)[C@@H](O)[C@H]1C[C@H]([C@H](O)O1)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C
InChIKey
InChIKey=AJIQHHJDRBFWPL-AVIQXNLPSA-N
Formula
C28H46O5
Mass
462.671
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
3-hydroxy delta-7-steroids 3-alpha-hydroxysteroids Delta-7-steroids Tetrahydrofurans Tertiary alcohols Secondary alcohols Hemiacetals Cyclic alcohols and derivatives Oxacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Dihydroxy bile acid, alcohol, or derivatives - 24-hydroxysteroid - 3-hydroxy-delta-7-steroid - 3-hydroxysteroid - 3-alpha-hydroxysteroid - Hydroxysteroid - Delta-7-steroid - Cyclic alcohol - Tetrahydrofuran - Tertiary alcohol - Hemiacetal - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Organooxygen compound - Aliphatic heteropolycyclic 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