Compound Identification
SMILES
CC(C)C1=CC23CCC4C(C)(CCCC4(C)C(O)=O)C2CC1C(C3C(=O)OCC(O)CO)C(O)=O
InChIKey
InChIKey=ISTSDBQJOJSLBM-UHFFFAOYSA-N
Formula
C27H40O8
Mass
492.609
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
Atisane diterpenoids Tricarboxylic acids and derivatives Alkaloids and derivatives 1-monoacylglycerols Secondary alcohols Carboxylic acid esters 1,2-diols Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Atisane diterpenoid - Villanovane, atisane, trachylobane or helvifulvane diterpenoid - Isocopalane diterpenoid - Alkaloid or derivatives - Tricarboxylic acid or derivatives - 1-acyl-sn-glycerol - Monoradylglycerol - Monoacylglycerol - Glycerolipid - 1,2-diol - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Organooxygen compound - Primary alcohol - Carbonyl group - Hydrocarbon derivative - Alcohol - Organic oxide - 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