Compound Identification
SMILES
CC(=O)[C@@]1(C)CCC2[C@@](C)(CC[C@@]3(C)C4CC(C)(C)CC[C@]4(C)CC[C@]23C)C1CC(O)=O
InChIKey
InChIKey=PBRRQRYVRNSVBF-VLTYVTDFSA-N
Formula
C29H48O3
Mass
444.7
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
17-oxosteroids 16-oxosteroids 16-hydroxysteroids Ketones Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Clerodane diterpenoid - 18-oxosteroid - Hydroxysteroid - 16-oxosteroid - 17-oxosteroid - Oxosteroid - 16-hydroxysteroid - Steroid - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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