Structure Information
Structure

Compound Identification

SMILES

[H]\C(CCCCCCC)=C(\[H])C12O[C@]3([H])C4([H])C5([H])OC5(CO)C([H])(O)C5(O)CC(C)=CC5([H])C4(O1)C([H])(C)C([H])(OC(=O)C(\[H])=C(/[H])C1=CC=CC=C1)[C@@]3(O2)C(C)=C

InChIKey

InChIKey=KEUMOFLVVHIGDK-VTQXMHCUSA-N

Formula

C39H50O9

Mass

662.82

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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 - Cinnamic acid or derivatives - Cinnamic acid ester - Styrene - 1,3-dioxepane - Carboxylic acid orthoester - Dioxepane - Fatty acid ester - Ortho ester - Meta-dioxane - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Meta-dioxolane - Cyclic alcohol - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Orthocarboxylic acid derivative - Secondary alcohol - Carboxylic acid ester - Ether - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxirane - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Primary alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - 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

CHEBI:65978 : epoxide - organic heterohexacyclic compound - cinnamate ester - bridged compound - triol - diterpenoid

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