Compound Identification
SMILES
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)[C@@H](O)[C@@H](O)[C@]5(C)[C@H]4CC[C@]23C)OC11CC[C@@H](C)CO1
InChIKey
InChIKey=SRTGQBIWSBCVSM-JYBGDFTBSA-N
Formula
C27H44O5
Mass
448.644
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
Trihydroxy bile acids, alcohols and derivatives
Alternative Parents
Vitamin D and derivatives Triterpenoids Spirostanes and derivatives 3-alpha-hydroxysteroids 1-hydroxysteroids Ketals Oxanes Cyclitols and derivatives Tetrahydrofurans Secondary alcohols Oxacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpenoid - Spirostane skeleton - Trihydroxy bile acid, alcohol, or derivatives - 1-hydroxysteroid - 3-alpha-hydroxysteroid - Hydroxysteroid - 2-hydroxysteroid - 3-hydroxysteroid - Ketal - Oxane - Cyclitol or derivatives - Tetrahydrofuran - Cyclic alcohol - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as trihydroxy bile acids, alcohols and derivatives. These are prenol lipids structurally characterized by a bile acid or alcohol which bears three hydroxyl groups.
External Descriptors
Not available