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Structure Information
Structure

Compound Identification

SMILES

C[C@@H]1C[C@@]2(O[C@]3(CC4=CC=CC=C4)O[C@@H]2[C@@H]2C=C(CO)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C

InChIKey

InChIKey=FFKXTXJQZGIKQZ-BWYRDEQTSA-N

Formula

C28H32O6

Mass

464.558

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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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Daphnane diterpenoid - 1,3-dioxepane - Carboxylic acid orthoester - Dioxepane - Ortho ester - Meta-dioxane - Monocyclic benzene moiety - Benzenoid - Tertiary alcohol - Meta-dioxolane - Orthocarboxylic acid derivative - Ketone - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Alcohol - Primary alcohol - Aromatic heteropolycyclic 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

Not available

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