Structure Information
Structure

Compound Identification

SMILES

CC1CC2(OC3(CC4=CC=CC=C4)OC2C2C=C(COC(=O)C4=CC=C(Br)C=C4)CC4(O)C(C=C(C)C4=O)C12O3)C(C)=C

InChIKey

InChIKey=SWUNYAGOWDOTHZ-UHFFFAOYSA-N

Formula

C35H35BrO7

Mass

647.562

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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 - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Ortho ester - Halobenzene - Dioxepane - Carboxylic acid orthoester - Bromobenzene - 1,3-dioxepane - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Meta-dioxane - Tertiary alcohol - Meta-dioxolane - Orthocarboxylic acid derivative - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - 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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