Compound Identification
SMILES
CCOC(=O)[C@]1(C)[C@@H]2CC[C@@]3(C#N)[C@H](CO)C(C)=CC[C@@H]3[C@@]2(C)CCC1=O
InChIKey
InChIKey=FUVLKYSZBRQVGO-MBSGBTIZSA-N
Formula
C22H31NO4
Mass
373.493
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
- Subclass Diterpenoids
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Diterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Isocopalane and spongiane diterpenoids
Alternative Parents
3-oxo-5-alpha-steroids Hydrophenanthrenes Cyclic ketones Carboxylic acid esters Nitriles Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Isocopalane diterpenoid - 3-oxosteroid - Oxosteroid - 3-oxo-5-alpha-steroid - Steroid - Hydrophenanthrene - Phenanthrene - Cyclic ketone - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organic nitrogen compound - Primary alcohol - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Cyanide - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as isocopalane and spongiane diterpenoids. These are diterpenoids with a structure based on the isocopalane (Tetradecahydro-1,1,4a,7,8,8a-hexamethylphenanthrene) or the 15,16-epoxyisocopalane skeleton.
External Descriptors
Not available