Compound Identification
SMILES
CCCC(=O)O[C@@H]1O[C@H](OC(C)=O)[C@]23[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](C)[C@](C)(CCC(=C)C=C)[C@H]2C[C@H](OC(=O)C(C)CC)C=C13
InChIKey
InChIKey=IQJYOZIDRHQZPD-QOWPTCOOSA-N
Formula
C35H50O11
Mass
646.774
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
Pentacarboxylic acids and derivatives Naphthofurans Fatty acid esters Tetrahydrofurans Carboxylic acid esters Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Clerodane diterpenoid - Pentacarboxylic acid or derivatives - Naphthofuran - Fatty acid ester - Fatty acyl - Tetrahydrofuran - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Acetal - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen 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