Structure Information
Structure

Compound Identification

SMILES

CCN1C[C@]2(C)CC[C@H](OC(=O)c3ccccc3)[C@@]34[C@@H]5C[C@H](OC(=O)c6ccccc6)[C@@H]6C[C@@]5([C@@H](C[C@H]23)C14)[C@H](OC(=O)c1ccccc1)C6=C

InChIKey

InChIKey=HGFMWFUVPKFOMU-FZDGCGJZSA-N

Formula

C43H45NO6

Mass

671.834

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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

Kaurane diterpenoids

Direct Parent

Napelline-type diterpenoid alkaloids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Napelline-type diterpenoid alkaloid - Benzoate ester - Benzoic acid or derivatives - Tricarboxylic acid or derivatives - Alkaloid or derivatives - Benzoyl - Azepane - Monocyclic benzene moiety - Benzenoid - Piperidine - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as napelline-type diterpenoid alkaloids. These are alkaloid diterpenoids with a structure based on the napelline skeleton, which is a hexacyclic compound, with an additional C-20-C-7 bond in the kaurane-type.

External Descriptors

Not available

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