Structure Information
Structure

Compound Identification

SMILES

[Cl-].CCC(C)C(=O)O[C@H]1[C@H](O)C2C(C[NH+]3C[C@@H](C)CC[C@H]3[C@@]2(C)O)C2C[C@@]34O[C@@]5(C)C([C@@H](OC(O)=O)[C@@H](OC(C)=O)C3[C@]12O)[C@]4(C)CC[C@@H]5OC(=O)C(C)(O)CC

InChIKey

InChIKey=IVOGIYDJLMXXSV-LXQDISIGSA-N

Formula

C41H64ClNO14

Mass

830.41

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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 - Tricarboxylic acid or derivatives - Fatty acid ester - Oxepane - Fatty acyl - Piperidine - Tertiary alcohol - Carbonic acid monoester - Tetrahydrofuran - Cyclic alcohol - Carbonic acid derivative - Tertiary aliphatic amine - Carboxylic acid ester - Tertiary amine - Amino acid or derivatives - Secondary alcohol - 1,2-aminoalcohol - Carboxylic acid derivative - Oxacycle - Azacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Polyol - Organic oxygen compound - Amine - Alcohol - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic chloride salt - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic salt - Organic zwitterion - Organic oxide - 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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