Compound Identification
SMILES
COC(=O)[C@@H](C)[C@H]1CC[C@](C)(CC[C@@]2(C)[C@H](C)CC[C@]3(C)[C@@H]2CCCC3=C)OO1
InChIKey
InChIKey=XZMSFDWECPXXRJ-KYABTRMWSA-N
Formula
C25H42O4
Mass
406.607
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
Colensane and clerodane diterpenoids
Alternative Parents
1,2-dioxanes Methyl esters Dialkyl peroxides Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Clerodane diterpenoid - Ortho-dioxane - Methyl ester - Dialkyl peroxide - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as colensane and clerodane diterpenoids. These are diterpenoids with a structure based on the clerodane or the colensane skeleton. Clerodanes arise from labdanes by two methyl migrations.
External Descriptors
Not available