Structure Information
Structure

Compound Identification

SMILES

CC(=O)OC[C@@]1(C)[C@@H](CC[C@@]2(C)[C@@H]3CC[C@H]4C[C@]3(CC4=C)[C@H](CC12)OC(=O)C1=CC=C(C=C1)[N+]([O-])=O)OC(=O)C1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=ZTHGQCUCHGNHLF-NWJSURDKSA-N

Formula

C36H40N2O10

Mass

660.72

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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

Kaurane diterpenoids

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Kaurane diterpenoid - Steroid - Nitrobenzoate - Benzoate ester - Benzoic acid or derivatives - Nitrobenzene - Tricarboxylic acid or derivatives - Nitroaromatic compound - Benzoyl - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Organic oxoazanium - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as kaurane diterpenoids. These are diterpene alkaloids with a structure that is based on the kaurane skeleton. Kaurane is a tetracyclic compound that arises by cyclisation of a pimarane precursor followed by rearrangement. It possesses a [3,2,1]-bicyclic ring system with C15-C16 bridge connected to C13, forming the five-membered ring D.

External Descriptors

Not available

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