Structure Information
Structure

Compound Identification

SMILES

[H]O[C@@]1([H])[C@]([H])(OC(=O)C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])[C@]2(O[H])[C@@]([H])(C([H])([H])[C@]34O[C@@]5(O[H])[C@@]([H])([C@@]([H])(OC(=O)C([H])([H])[H])[C@@]([H])(OC(=O)C([H])([H])[H])[C@@]23[H])[C@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]5([H])OC(=O)C(O[H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])[C@]2([H])C([H])([H])N3C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]3([H])[C@](O[H])(C([H])([H])[H])[C@@]12[H]

InChIKey

InChIKey=HYTGGNIMZXFORS-DFLFVLBWSA-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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