Compound Identification
SMILES
CCN1CC2(COC)[C@H]3C(OC)C4[C@@H]1C3([C@@H]1C[C@@]3(OC(C)=O)C(OC(C)=O)[C@@H]1[C@]4(OC(C)=O)C(OC(C)=O)[C@@H]3OC)C(CC2OC(C)=O)OC
InChIKey
InChIKey=MCVSISBFKCPEKX-DOUIHRBISA-N
Formula
C35H51NO14
Mass
709.786
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
Pentacarboxylic acids and derivatives Quinolidines Alkaloids and derivatives Azepanes Piperidines Trialkylamines Carboxylic acid esters Amino acids and derivatives Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Aconitane-type diterpenoid alkaloid - Pentacarboxylic acid or derivatives - Quinolidine - Alkaloid or derivatives - Azepane - Piperidine - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Amine - 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