Compound Identification
SMILES
CCCCCC=CC=CC12OC3C4C5OC5(CO)C(O)C(O)(C(C=CC)C4(O1)C(C)CC3(O2)C(C)=C)C(O)=O
InChIKey
InChIKey=PAXLCTWYMWCJFG-UHFFFAOYSA-N
Formula
C30H42O9
Mass
546.657
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Dioxepanes
- Subclass 1,3-dioxepanes
-
Class
Dioxepanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Dioxepanes
Subclass
1,3-dioxepanes
Intermediate Tree Nodes
Not available
Direct Parent
1,3-dioxepanes
Alternative Parents
Ortho esters Beta hydroxy acids and derivatives Carboxylic acid orthoesters 1,3-dioxanes Alpha hydroxy acids and derivatives Tertiary alcohols 1,3-dioxolanes Secondary alcohols Cyclic alcohols and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Epoxides Dialkyl ethers Hydrocarbon derivatives Organic oxides Primary alcohols Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
1,3-dioxepane - Beta-hydroxy acid - Carboxylic acid orthoester - Ortho ester - Meta-dioxane - Alpha-hydroxy acid - Hydroxy acid - Meta-dioxolane - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Orthocarboxylic acid derivative - Ether - Oxirane - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Organic oxide - Primary alcohol - Carbonyl group - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,3-dioxepanes. These are dioxepanes with the two ring oxygen atoms at position 1 and 3, respectively.
External Descriptors
Not available