Structure Information
Structure

Compound Identification

SMILES

CC(C)CO[C@@H]1[C@H]2[C@@H](OC(C)=O)[C@@H](C)C[C@]2(O)C(=O)[C@@H](C)\C=C\C(C)(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(=O)C2=CC=CC=C2)C1=C

InChIKey

InChIKey=CVBMYLRWKWFADN-UWJLGCLKSA-N

Formula

C37H50O11

Mass

670.796

Export to:

JSON SDF CSV

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

Jatrophane and cyclojatrophane diterpenoids

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Jatrophane diterpenoid - Tetracarboxylic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Tertiary alcohol - Cyclic alcohol - Carboxylic acid ester - Ketone - Ether - Dialkyl ether - Carboxylic acid derivative - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as jatrophane and cyclojatrophane diterpenoids. These are diterpenoids with a structure based on the jatrophane or the 9,13-jatrophane skeleton. Jatrophane can be derived from casbane by 6,10-cyclization and opening of the cyclopropane. Cyclojatrophane diterpenoids are based on the 9,13-cyclization of the jatrophane skeleton yields the 9,13-cyclojatrophane skeleton.

External Descriptors

Not available

Previous Back Next