Compound Identification
SMILES
CCN1CC2(C)CCC(OC)C34C2C(OC(C)=O)C2(OCOC22CC(OC)C5CC3(O)C2C5OC(C)=O)C14
InChIKey
InChIKey=YRFHHBLWWCMRSY-UHFFFAOYSA-N
Formula
C28H41NO9
Mass
535.634
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
Aconitane-type diterpenoid alkaloids
Alternative Parents
Quinolidines Alkaloids and derivatives Azepanes Piperidines Dicarboxylic acids and derivatives Tertiary alcohols 1,3-dioxolanes Trialkylamines Amino acids and derivatives Carboxylic acid esters Cyclic alcohols and derivatives Oxacyclic compounds Acetals Azacyclic compounds Dialkyl ethers Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Aconitane-type diterpenoid alkaloid - Quinolidine - Alkaloid or derivatives - Azepane - Dicarboxylic acid or derivatives - Piperidine - Meta-dioxolane - Tertiary alcohol - Cyclic alcohol - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Acetal - Dialkyl ether - Ether - Oxacycle - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Amine - Alcohol - Organic oxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aconitane-type diterpenoid alkaloids. These are alkaloid diterpenoids with a structure based on the hexacyclic aconitane skeleton. These compounds have no oxygen functionality at the C7 atom.
External Descriptors
Not available