Compound Identification
SMILES
CCCCCCCCCCCCCCCC(=O)OCC1=C[C@H]2[C@@H]3C(C)(C)[C@@]3(C[C@@H](C)C3(C=C(C)[C@H](OC(C)(C)C(C)C=O)[C@@]3(O)[C@@H]1O)C2=O)OC(=O)CCCCCCCCCCC
InChIKey
InChIKey=CXQFABUPOZEDCK-QUCJBYMNSA-N
Formula
C54H90O9
Mass
883.305
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
- Subclass Diterpenoids
-
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
Tigliane and ingenane diterpenoids
Alternative Parents
Fatty acid esters Dicarboxylic acids and derivatives Tertiary alcohols Secondary alcohols Ketones Carboxylic acid esters 1,2-diols Dialkyl ethers Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Ingenane diterpenoid - Fatty acid ester - Fatty acyl - Dicarboxylic acid or derivatives - Tertiary alcohol - Carboxylic acid ester - Secondary alcohol - 1,2-diol - Ketone - Carboxylic acid derivative - Dialkyl ether - Ether - Alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aldehyde - Organooxygen compound - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as tigliane and ingenane diterpenoids. These are diterpenoids containing the tigliane or ingenane carbon skeleton. The tigliane skeleton is a tetracyclic ring that consists of the 4/7/6/3 ring junction. It is derived from casbane by 6,10- and 5,14-cyclizations and is a framework of phorbol. The ingenane skeleton is derived by rearrangement of tigliane.
External Descriptors
Not available