Compound Identification
SMILES
COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC[C@]13CC(OC(=O)C4=CC=CC=C4)[C@H](C[C@H]21)C(=C)C3
InChIKey
InChIKey=VBBDHCOXUOYILV-PPMBQDCSSA-N
Formula
C28H36O4
Mass
436.592
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
Villanovane, atisane, trachylobane or helvifulvane diterpenoids
Direct Parent
Atisane diterpenoids
Alternative Parents
Benzoic acid esters Alkaloids and derivatives Benzoyl derivatives Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Atisane diterpenoid - Benzoate ester - Benzoic acid or derivatives - Alkaloid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as atisane diterpenoids. These are diterpenoids with a structure based on the atisane skeleton, which is a tetracyclic compound containing the [2,2,2]bicyc1ic ring system with the C15-C16 bridge attached at C12.
External Descriptors
Not available