Structure Information
Structure

Compound Identification

SMILES

C[C@@H]1C[C@](O)([C@H](O)[C@@H]2C=C(CO)C[C@@]3(O)[C@@H](C=C(C)C3=O)[C@@]12O)C(C)=C

InChIKey

InChIKey=XJOIANWCBZYENR-IXUTXISSSA-N

Formula

C20H28O6

Mass

364.438

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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

Rhamnofolane and daphnane diterpenoids

Alternative Parents

Tertiary alcohols Secondary alcohols Ketones Cyclic alcohols and derivatives Polyols Primary alcohols Organic oxides Hydrocarbon derivatives

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

Daphnane diterpenoid - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Ketone - Polyol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as rhamnofolane and daphnane diterpenoids. These are diterpenoids with a structure based on one the rhamnofolane or daphnane skeleton. The rhamnofolane and daphnane skeletons are closely related, being formally derived from casbane by two cyclizations (6,10 and 5,14) followed by cleavage of the 1,15 (daphnane) or 2,15 (rhamnofolane) cyclopropane bonds.

External Descriptors

CHEBI:8810 : diterpenoid
KEGG (C09178) : Tiglianes

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