Compound Identification
SMILES
COC(=O)C1=CO[C@H](C[C@@H]1CC1OCC(C)(C)CO1)OCC1=CC=CC=C1
InChIKey
InChIKey=IELNKUSPSIYPGI-SJLPKXTDSA-N
Formula
C21H28O6
Mass
376.449
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Dioxanes
- Subclass 1,3-dioxanes
-
Class
Dioxanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Dioxanes
Subclass
1,3-dioxanes
Intermediate Tree Nodes
Not available
Direct Parent
1,3-dioxanes
Alternative Parents
Benzene and substituted derivatives Vinylogous esters Methyl esters Enoate esters Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Meta-dioxane - Monocyclic benzene moiety - Benzenoid - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous ester - Carboxylic acid ester - Acetal - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Organic oxygen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 1,3-dioxanes. These are organic compounds containing 1,3-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 3.
External Descriptors
Not available