Compound Identification
SMILES
CC(=O)OCC12C(O)CCC(C)(C)[C@H]1CC(O)[C@@]13[C@H](O)[C@@H](CC[C@@H]21)C(=C)C3=O
InChIKey
InChIKey=FWBSIMCZPHJUNZ-UQFRWTFDSA-N
Formula
C22H32O6
Mass
392.492
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
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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
Kaurane diterpenoids
Alternative Parents
Fatty alcohol esters b'-hydroxy-alpha,beta-unsaturated ketones Beta-hydroxy ketones Alpha-branched alpha,beta-unsaturated ketones Enones Acryloyl compounds Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Kaurane diterpenoid - Fatty alcohol ester - B'-hydroxy-alpha,beta-unsaturated-ketone - Alpha-branched alpha,beta-unsaturated-ketone - Beta-hydroxy ketone - Alpha,beta-unsaturated ketone - Enone - Cyclic alcohol - Acryloyl-group - Secondary alcohol - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - 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