Compound Identification
SMILES
CCC(C)C(=O)O[C@H]1[C@@H](O)C(C)(C)C=C[C@H](C)C(=O)[C@@]2(O)C[C@H](C)[C@H](O)[C@@H]2[C@@H](OC(=O)C(C)CC)C(=C)[C@@H]1OCC(C)C
InChIKey
InChIKey=IPTVQTRTKLELPQ-LGIHIOGZSA-N
Formula
C34H56O9
Mass
608.813
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
Jatrophane and cyclojatrophane diterpenoids
Alternative Parents
Fatty acid esters Dicarboxylic acids and derivatives Tertiary alcohols Secondary alcohols Ketones Cyclic alcohols and derivatives Carboxylic acid esters Polyols Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Jatrophane diterpenoid - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Cyclic alcohol - Tertiary alcohol - Ketone - Carboxylic acid ester - Secondary alcohol - Polyol - Ether - Dialkyl ether - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Carbonyl group - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as jatrophane and cyclojatrophane diterpenoids. These are diterpenoids with a structure based on the jatrophane or the 9,13-jatrophane skeleton. Jatrophane can be derived from casbane by 6,10-cyclization and opening of the cyclopropane. Cyclojatrophane diterpenoids are based on the 9,13-cyclization of the jatrophane skeleton yields the 9,13-cyclojatrophane skeleton.
External Descriptors
Not available