Compound Identification
SMILES
CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCC3=C(C)C=CC(O)=C3)C(=O)CC[C@]12C
InChIKey
InChIKey=USFQLAVWHQCNDG-AYEIPMSGSA-N
Formula
C27H42O3
Mass
414.63
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
- Subclass Sesquiterpenoids
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Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Sesquiterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Sesquiterpenoids
Alternative Parents
Para cresols Toluenes 1-hydroxy-2-unsubstituted benzenoids Secondary alcohols Cyclic ketones Cyclic alcohols and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Sesquiterpenoid - P-cresol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Toluene - Monocyclic benzene moiety - Benzenoid - Cyclic alcohol - Secondary alcohol - Ketone - Cyclic ketone - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Alcohol - Carbonyl group - Organic oxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
External Descriptors
LIPIDMAPS (LMST03020180) : Vitamin D3 and derivatives