Compound Identification
SMILES
C[C@@H]1[C@@H](O)C2(O)C([C@@H]3C=C(CO)C[C@H]4[C@@H](C=C(C)C4=O)[C@@]13O)C2(C)C
InChIKey
InChIKey=RTJAYUGZUOLFMY-IKGOZQHVSA-N
Formula
C20H28O5
Mass
348.439
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
Tertiary alcohols Secondary alcohols Ketones Cyclic alcohols and derivatives Polyols Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Tigliane diterpenoid - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Ketone - Cyclopropanol - Polyol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - 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