Compound Identification
SMILES
C[C@H]1C[C@]23CC4CCC[C@]5(CC[C@@]6(O5)OC(CC[C@]6(C)O)CC(=C)CCCC5=[NH+]C[C@@H](C)C(C)C[C@]55CCC(=CC5C(O2)[C@@H](O3)[C@H]1O)C([O-])=O)O4
InChIKey
InChIKey=ZYFHPTPXLHNGQK-WJKALLSGSA-N
Formula
C41H61NO9
Mass
711.937
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Oxepanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Oxepanes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Oxepanes
Alternative Parents
Azepines Ketals Oxanes Tertiary alcohols 1,3-dioxolanes Oxolanes Secondary alcohols Carboxylic acid salts Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Oxacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organopnictogen compounds Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Azepine - Ketal - Oxepane - Oxane - Meta-dioxolane - Oxolane - Tertiary alcohol - Carboxylic acid salt - Secondary alcohol - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Oxacycle - Acetal - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Alcohol - Organic salt - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as oxepanes. These are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms.
External Descriptors
Not available