Compound Identification
SMILES
COC(=O)[C@@H](C)[C@@H](O)CC[C@](C)(O)CC[C@]1(C)[C@H](C)CC[C@H]2C(C)(C)CCC[C@@]12O
InChIKey
InChIKey=BFXACLHBXYNMSA-INXNGHJVSA-N
Formula
C25H46O5
Mass
426.638
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
Fatty alcohols Fatty acid esters Beta hydroxy acids and derivatives Tertiary alcohols Methyl esters Secondary alcohols Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
19-norclerodane diterpenoid - Fatty alcohol - Beta-hydroxy acid - Fatty acid ester - Fatty acyl - Hydroxy acid - Cyclic alcohol - Methyl ester - Tertiary alcohol - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organic oxygen compound - Organooxygen compound - Aliphatic homopolycyclic 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