Structure Information
Structure

Compound Identification

SMILES

CC(C)(O)[C@@H]1CC[C@@]2(C)CCC(=C)CC[C@@H]3O[C@]3(COC(=O)C3=CC=CC=C3)C[C@H]3O[C@]123

InChIKey

InChIKey=IRTZEVPKSHDYFE-OEWDWABFSA-N

Formula

C27H36O5

Mass

440.58

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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 - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Tertiary alcohol - Carboxylic acid ester - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Oxirane - Ether - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Alcohol - 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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