Compound Identification
SMILES
CCOC(=O)[C@@]1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C#N)[C@@H]2CCC2=COC=C12)OS(=O)(=O)C(F)(F)F
InChIKey
InChIKey=IZXIJTIMFWROEH-PXDFHXHNSA-N
Formula
C23H28F3NO6S
Mass
503.53
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
Isocopalane and spongiane diterpenoids
Alternative Parents
Steroids and steroid derivatives Trifluoromethanesulfonates Organosulfonic acid esters Sulfonic acid esters Furans Heteroaromatic compounds Methanesulfonates Sulfonyls Carboxylic acid esters Trihalomethanes Nitriles Monocarboxylic acids and derivatives Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organofluorides Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Spongiane diterpenoid - Steroid - Trifluoromethanesulfonate - Sulfonic acid ester - Organosulfonic acid ester - Furan - Methanesulfonate - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Trihalomethane - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Halomethane - Organic oxide - Alkyl halide - Organic nitrogen compound - Alkyl fluoride - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Cyanide - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isocopalane and spongiane diterpenoids. These are diterpenoids with a structure based on the isocopalane (Tetradecahydro-1,1,4a,7,8,8a-hexamethylphenanthrene) or the 15,16-epoxyisocopalane skeleton.
External Descriptors
Not available