Structure Information
Structure

Compound Identification

SMILES

CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@@]6(OC(=O)OC(C)(C)C)[C@H](OC(=O)C7=CC=C(OC)C=C7)[C@@H]5[C@@](C[C@@H]6OC)(OC(=O)OC(C)(C)C)[C@@H]([C@H](OC)[C@H]23)[C@@H]14

InChIKey

InChIKey=UVROEORVZWDORE-OJGOFKPPSA-N

Formula

C43H63NO13

Mass

801.971

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Aconitane-type diterpenoid alkaloid - P-methoxybenzoic acid or derivatives - Benzoate ester - Quinolidine - Alkaloid or derivatives - Benzoic acid or derivatives - Methoxybenzene - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Azepane - Alkyl aryl ether - Monocyclic benzene moiety - Carbonic acid diester - Benzenoid - Piperidine - Carboxylic acid ester - Tertiary amine - Carbonic acid derivative - Tertiary aliphatic amine - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Dialkyl ether - Organooxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Aromatic 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

Previous Back Next