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)CC[C@]5(C)[C@H]4C(=O)[C@@H](O)[C@]23C)O[C@@]11OC[C@H](C)CC1Br
InChIKey
InChIKey=MJCUKEIDOQBABA-MWBOUICKSA-N
Formula
C27H41BrO5
Mass
525.524
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
Vitamin D and derivatives Triterpenoids Spirostanes and derivatives 3-beta-hydroxysteroids 12-hydroxysteroids 11-oxosteroids Ketals Oxanes Acyloins Tetrahydrofurans Alpha-hydroxy ketones Secondary alcohols Cyclic alcohols and derivatives Oxacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpenoid - Spirostane skeleton - Dihydroxy bile acid, alcohol, or derivatives - 3-beta-hydroxysteroid - Oxosteroid - 11-oxosteroid - Hydroxysteroid - 12-hydroxysteroid - 3-hydroxysteroid - Ketal - Oxane - Acyloin - Tetrahydrofuran - Cyclic alcohol - Alpha-hydroxy ketone - Secondary alcohol - Ketone - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Alcohol - 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