Compound Identification
SMILES
COC(=O)C1=C(C#C)[C@H](O)C[C@H]2[C@H]1[C@@H](O)C[C@H]1C(C)(C)CCC[C@]21C
InChIKey
InChIKey=XEVVUKFJYJTXHU-VPJDZFQPSA-N
Formula
C21H30O4
Mass
346.467
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
7-beta-hydroxysteroids 12-beta-hydroxysteroids Hydrophenanthrenes Methyl esters Enoate esters Secondary alcohols Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Acetylides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Isocopalane diterpenoid - 12-hydroxysteroid - Hydroxysteroid - 7-beta-hydroxysteroid - 7-hydroxysteroid - 12-beta-hydroxysteroid - Steroid - Hydrophenanthrene - Phenanthrene - Alpha,beta-unsaturated carboxylic ester - Cyclic alcohol - Enoate ester - Methyl ester - Secondary alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Acetylide - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Alcohol - 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