Structure Information
Structure

Compound Identification

SMILES

CC(C)=C1CC[C@@]2(COC(=O)CC3=CC=CC=C3)[C@H]1[C@@H](C[C@]1(C)O[C@H]1CC\C(C)=C\[C@@H]2OC(=O)C1=CN=CC=C1)OC(=O)C1=CN=CC=C1

InChIKey

InChIKey=ISDXMFLGMQJRBT-HYIBTWHTSA-N

Formula

C40H44N2O7

Mass

664.799

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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

Dolabellane and neodolabellane diterpenoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Dolabellane diterpenoid - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as dolabellane and neodolabellane diterpenoids. These are diterpenoids with a structure based on the dolabellane skeleton (3a,6,10-trimethyl-1-(propan-2-yl)-cyclopenta[11]annulene) or the neodolabellane skeleton.

External Descriptors

Not available

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