Compound Identification
SMILES
C[C@@](O)(CC([O-])=O)CC(=O)OC[C@@]1(C)[C@@H]2CC[C@]34C[C@H](CC[C@@H]3[C@@]2(C)CCC1=O)[C@](O)(CO)C4
InChIKey
InChIKey=ANWUFUZNDVSTAG-HKFGSMEUSA-M
Formula
C26H39O8
Mass
479.591
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Diterpenoids
- Level 5 Kaurane diterpenoids
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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
Kaurane diterpenoids
Alternative Parents
Steroids and steroid derivatives Short-chain hydroxy acids and derivatives Methyl-branched fatty acids Hydroxy fatty acids Fatty acid esters Dicarboxylic acids and derivatives Tertiary alcohols Cyclic ketones Cyclic alcohols and derivatives Carboxylic acid esters Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Kaurane diterpenoid - Steroid - Branched fatty acid - Methyl-branched fatty acid - Short-chain hydroxy acid - Fatty acid ester - Hydroxy fatty acid - Fatty acyl - Dicarboxylic acid or derivatives - Cyclic alcohol - Tertiary alcohol - Carboxylic acid ester - Cyclic ketone - Ketone - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organic oxygen compound - Primary alcohol - Organooxygen compound - Organic anion - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as kaurane diterpenoids. These are diterpene alkaloids with a structure that is based on the kaurane skeleton. Kaurane is a tetracyclic compound that arises by cyclisation of a pimarane precursor followed by rearrangement. It possesses a [3,2,1]-bicyclic ring system with C15-C16 bridge connected to C13, forming the five-membered ring D.
External Descriptors
Not available