Compound Identification
SMILES
CO[C@@H]1[C@@H](CS(C)=O)[C@@H]2CC[C@@]11CC[C@H]3[C@@](C)(CCC[C@@]3(C)C(O)=O)[C@@H]1C2
InChIKey
InChIKey=XPXZAGRUYOIDJC-FGZREZAUSA-N
Formula
C22H36O4S
Mass
396.59
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
Villanovane, atisane, trachylobane or helvifulvane diterpenoids
Direct Parent
Atisane diterpenoids
Alternative Parents
Alkaloids and derivatives Sulfoxides Sulfinyl compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Atisane diterpenoid - Alkaloid or derivatives - Sulfoxide - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Sulfinyl compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as atisane diterpenoids. These are diterpenoids with a structure based on the atisane skeleton, which is a tetracyclic compound containing the [2,2,2]bicyc1ic ring system with the C15-C16 bridge attached at C12.
External Descriptors
Not available