Compound Identification
SMILES
C[C@@H]1CO[C@@H]([C@@H](O)[C@](C)(O)[C@H]2CC[C@@]3(O)C4=CC(=O)[C@@H]5C[C@@H](O)[C@@H](O)C[C@]5(C)[C@H]4CC[C@]23C)[C@H]1C
InChIKey
InChIKey=HHPPCGSBRMCORM-QTSUHJLRSA-N
Formula
C28H44O7
Mass
492.653
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
Pentahydroxy bile acids, alcohols and derivatives
Alternative Parents
Cholesterols and derivatives Ecdysteroids 14-hydroxysteroids 3-beta-hydroxysteroids 3-hydroxy delta-7-steroids 6-oxosteroids Delta-7-steroids Cyclohexenones Tetrahydrofurans Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Polyols Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cholesterol-skeleton - Pentahydroxy bile acid, alcohol, or derivatives - Cholestane-skeleton - Ecdysteroid - 22-hydroxysteroid - 20-hydroxysteroid - 3-hydroxy-delta-7-steroid - 3-hydroxysteroid - 2-hydroxysteroid - 6-oxosteroid - 3-beta-hydroxysteroid - 14-hydroxysteroid - Hydroxysteroid - Oxosteroid - Delta-7-steroid - Cyclohexenone - Cyclic alcohol - Tetrahydrofuran - Tertiary alcohol - Ketone - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Polyol - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organooxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pentahydroxy bile acids, alcohols and derivatives. These are bile acids, alcohols or derivatives bearing five hydroxyl groups.
External Descriptors
Not available