Compound Identification
SMILES
CO[C@H](CCC(C)(C)O)[C@@](C)(O)C1CC[C@@]2(OC)C3=CC(=O)[C@@H]4C[C@@H](OC)[C@H](C[C@]4(C)C3CC[C@]12C)OC
InChIKey
InChIKey=NKPMPIIFUGESQS-JFJMCMDQSA-N
Formula
C31H52O7
Mass
536.75
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
Cholesterols and derivatives Ecdysteroids Hydroxysteroids 6-oxosteroids Delta-7-steroids Cyclohexenones Tertiary alcohols Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Cholesterol - Cholestane-skeleton - Ecdysteroid - Trihydroxy bile acid, alcohol, or derivatives - 25-hydroxysteroid - 22-hydroxysteroid - 20-hydroxysteroid - 6-oxosteroid - Oxosteroid - Hydroxysteroid - Delta-7-steroid - Cyclohexenone - Tertiary alcohol - Ketone - Ether - Dialkyl ether - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Alcohol - Aliphatic homopolycyclic 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