Compound Identification
SMILES
CO[C@](C(=O)O[C@H]1CC\C(C)=C\CC\C(C)=C\[C@@H]2OC(=O)C(=C)[C@@H]2CC[C@@]1(C)O)(C1=CC=CC=C1)C(F)(F)F
InChIKey
InChIKey=JMPONPHSVQFOJR-UEBFRSACSA-N
Formula
C30H37F3O6
Mass
550.615
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Terpene lactones
-
Level 5
Diterpene lactones
- Level 6 Cembranolides
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Level 5
Diterpene lactones
-
Subclass
Terpene lactones
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Terpene lactones
Intermediate Tree Nodes
Diterpene lactones
Direct Parent
Cembranolides
Alternative Parents
Cembrane diterpenoids Benzylethers Gamma butyrolactones Dicarboxylic acids and derivatives Tertiary alcohols Oxolanes Enoate esters Oxacyclic compounds Dialkyl ethers Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cembranolide-skeleton - Cembrane diterpenoid - Diterpenoid - Benzylether - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Gamma butyrolactone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Oxolane - Tertiary alcohol - Lactone - Carboxylic acid ester - Carboxylic acid derivative - Ether - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Alkyl halide - Alcohol - Hydrocarbon derivative - Alkyl fluoride - Organohalogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organofluoride - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cembranolides. These are diterpenoids with a structure based on a cembrane skeleton fused to a lactone ring (5- or 6-membered).
External Descriptors
Not available