Compound Identification
SMILES
Br.C[C@@H]1[C@H]2CC[C@H](C)CN2[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@H](O)[C@]3(C)[C@@H]12
InChIKey
InChIKey=PPEMMFKVVCNBIW-VSLCWLCYSA-N
Formula
C27H44BrNO2
Mass
494.558
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
- Subclass Vitamin D and derivatives
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Class
Steroids and steroid derivatives
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Vitamin D and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Vitamin D and derivatives
Alternative Parents
Triterpenoids Solanidines and derivatives Cholesterols and derivatives 3-beta-hydroxysteroids 3-beta-hydroxy delta-5-steroids 12-hydroxysteroids Delta-5-steroids Azasteroids and derivatives Indolizidines Alkaloids and derivatives Piperidines N-alkylpyrrolidines Trialkylamines Secondary alcohols Cyclic alcohols and derivatives Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Hydrobromides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpenoid - Solanidane skeleton - Cholesterol - Steroidal alkaloid - 3-beta-hydroxysteroid - 3-beta-hydroxy-delta-5-steroid - Hydroxysteroid - 12-hydroxysteroid - 3-hydroxysteroid - 3-hydroxy-delta-5-steroid - Delta-5-steroid - Azasteroid - Alkaloid or derivatives - Indolizidine - N-alkylpyrrolidine - Piperidine - Pyrrolidine - Cyclic alcohol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrobromide - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as vitamin d and derivatives. These are compounds containing a secosteroid backbone, usually secoergostane or secocholestane.
External Descriptors
Not available