Structure Information
Structure

Compound Identification

SMILES

CCN1[C@@H]2[C@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@@](C[C@@H]6OC)(OC)[C@@]2(OC)[C@@H](OC)[C@@H]3[C@@]2(COC)CC[C@@H]4O[C@H]12

InChIKey

InChIKey=PJNUMSYPJHNPIK-VGGFNCANSA-N

Formula

C27H43NO7

Mass

493.641

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Diterpenoids

Intermediate Tree Nodes

Not available

Direct Parent

Aconitane-type diterpenoid alkaloids

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Aconitane-type diterpenoid alkaloid - Quinolidine - Alkaloid or derivatives - Azepane - 1,3-oxazinane - Oxane - Oxazinane - Piperidine - Hemiaminal - Ether - Dialkyl ether - Organoheterocyclic compound - Oxacycle - Azacycle - Organic oxygen compound - Organic nitrogen compound - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as aconitane-type diterpenoid alkaloids. These are alkaloid diterpenoids with a structure based on the hexacyclic aconitane skeleton. These compounds have no oxygen functionality at the C7 atom.

External Descriptors

Not available

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