Structure Information
Structure

Compound Identification

SMILES

C[C@H]1CC[C@H]2[C@@](C)(O)[C@H]3CC[C@H]4[C@@H]5C[C@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3C[N+]2([O-])C1

InChIKey

InChIKey=BBAXNNBTFRECAH-LSIVGDAKSA-N

Formula

C27H45NO4

Mass

447.66

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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 - Naphthylisoquinoline - Diterpenoid - Azasteroid - Homopumiliotoxin-skeleton - Quinolizidine - Naphthalene - Isoquinoline - Alkaloid or derivatives - Piperidine - Trialkyl amine oxide - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Azacycle - Organoheterocyclic compound - Trisubstituted n-oxide - N-oxide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organic hyponitrite - 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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