Compound Identification
SMILES
CCCCCCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OC(=O)C(C)(C)C)[C@@]3(O)[C@H](O)C(CO)=C[C@@H]([C@@H]1C2(C)C)C4=O
InChIKey
InChIKey=MJBWPFGCYCFCRO-LFEOGPSNSA-N
Formula
C37H58O8
Mass
630.863
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
Tigliane and ingenane diterpenoids
Alternative Parents
Fatty acid esters Dicarboxylic acids and derivatives Tertiary alcohols Secondary alcohols Ketones Carboxylic acid esters Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Ingenane diterpenoid - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Tertiary alcohol - Carboxylic acid ester - Ketone - Secondary alcohol - Carboxylic acid derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Alcohol - Primary alcohol - Carbonyl group - Hydrocarbon derivative - 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