Structure Information
Structure

Compound Identification

SMILES

[Cl-].C[C@H]1CC[C@@H]2[NH+](C1)CC1C3C[C@@]45O[C@@]6(O)C(C[C@@H](O)C4[C@]3(O)[C@@H](O)[C@H](O)C1[C@]2(C)O)[C@]5(C)CC[C@@H]6O

InChIKey

InChIKey=JLXCGRYYCQIBKO-ADWSFURMSA-N

Formula

C27H44ClNO8

Mass

546.1

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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 - Quinolizidine - Alkaloid or derivatives - Oxepane - Piperidine - Cyclic alcohol - Tertiary alcohol - Tetrahydrofuran - 1,2-aminoalcohol - Hemiacetal - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Azacycle - Polyol - Oxacycle - Organoheterocyclic compound - Organic chloride salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Alcohol - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Organic zwitterion - Organic salt - 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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