Compound Identification
SMILES
COC(=O)C1=C(C)[C@@H](O)C[C@H]2[C@]3(C)CCCC(C)(C)[C@H]3CC[C@]12C
InChIKey
InChIKey=VHSJFGGMDJZDRY-BPYGSDBUSA-N
Formula
C21H34O3
Mass
334.5
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
- Subclass Diterpenoids
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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
Diterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Isocopalane and spongiane diterpenoids
Alternative Parents
12-alpha-hydroxysteroids Hydrophenanthrenes Methyl esters Enoate esters Secondary alcohols Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Isocopalane diterpenoid - 12-hydroxysteroid - Hydroxysteroid - 12-alpha-hydroxysteroid - Steroid - Hydrophenanthrene - Phenanthrene - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - 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