Structure Information
Structure

Compound Identification

SMILES

CCC(C)C(=O)O[C@H]1[C@H](O)[C@H]2[C@@H](CN3C[C@@H](C)CC[C@H]3[C@@]2(C)O)[C@@H]2C[C@@]34O[C@]5(O)[C@@H](C[C@@H](OC(C)=O)[C@H]3[C@]12O)[C@]4(C)CC[C@@H]5OC(=O)C(C)(O)C(C)OC(C)=O

InChIKey

InChIKey=KBGNYIWYDYVUFP-JZPHTAIDSA-N

Formula

C41H63NO14

Mass

793.948

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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

Aliphatic heteropolycyclic compounds

Substituents

Cerveratrum-type alkaloid - Azasteroid - Tetracarboxylic acid or derivatives - Quinolizidine - Alkaloid or derivatives - Oxepane - Fatty acid ester - Fatty acyl - Piperidine - Tetrahydrofuran - Tertiary alcohol - Cyclic alcohol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Hemiacetal - Carboxylic acid ester - Amino acid or derivatives - 1,2-aminoalcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - Aliphatic 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

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