Structure Information
Structure

Compound Identification

SMILES

C[C@H]1CC[C@H]2N(C1)C[C@H]1[C@H]3C[C@@H]4[C@H](CC(=O)[C@H]5C[C@H](CC[C@]45C)OC(=O)C4=CC=CC=C4)[C@@H]3CC[C@H]1[C@]2(C)O

InChIKey

InChIKey=AQGKXMYBXMXQKH-IGNYCPGTSA-N

Formula

C34H47NO4

Mass

533.753

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Steroidal alkaloids

Intermediate Tree Nodes

Not available

Direct Parent

Cerveratrum-type alkaloids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cerveratrum-type alkaloid - Azasteroid - Benzoate ester - Quinolizidine - Benzoic acid or derivatives - Alkaloid or derivatives - Benzoyl - Monocyclic benzene moiety - Piperidine - Benzenoid - Tertiary alcohol - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Ketone - Carboxylic acid ester - 1,2-aminoalcohol - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Alcohol - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cerveratrum-type alkaloids. These are steroidal alkaloids containing the cevane (23-methyl-4- azahexacyclo[12.11.0.0^{2,11}.0^{4,9}.0^{15,24}.0^{18,23}]pentacosane) moiety, which is a six ring system. Cerveratrum alkaloids have 7-9 oxygen atoms and occur as free alkamines or esters of simple aliphatic or aromatic acids.

External Descriptors

Not available

Previous Back Next