Structure Information
Structure

Compound Identification

SMILES

CCCCCCCCCCCCCCCC(=O)OCC12OC1C1C3OC4(OC3(C(OC(C)=O)C(C)C1(O4)C1C=C(C)C(=O)C1(O)C2O)C(C)=C)C=CC=CCCCCCCCCCC

InChIKey

InChIKey=YTPXZROKHIYLNT-UHFFFAOYSA-N

Formula

C53H82O11

Mass

895.228

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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

Aliphatic heteropolycyclic compounds

Substituents

Daphnane diterpenoid - Glycidol ester - Dioxepane - 1,3-dioxepane - Fatty acid ester - Carboxylic acid orthoester - Ortho ester - Meta-dioxane - Dicarboxylic acid or derivatives - Fatty acyl - Meta-dioxolane - Cyclic alcohol - Tertiary alcohol - Carboxylic acid ester - Ketone - 1,2-diol - Orthocarboxylic acid derivative - Secondary alcohol - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Dialkyl ether - Oxirane - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Alcohol - Aliphatic 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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