Structure Information
Structure

Compound Identification

SMILES

CC(=O)O[C@H]1[C@H](OC(C)=O)[C@]2(C)[C@@H](O)C[C@H](O)C(=C)[C@H]2[C@H](OC(C)=O)[C@@]2(CC(=O)C(C)=C12)C(C)(C)O

InChIKey

InChIKey=YBKLIOKMYMZPJB-MDWMNUHPSA-N

Formula

C26H36O10

Mass

508.564

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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

Taxanes and derivatives

Alternative Parents

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

11(15->1)-abeotaxane diterpenoid - Tricarboxylic acid or derivatives - Cyclic alcohol - Tertiary alcohol - Carboxylic acid ester - Ketone - Secondary alcohol - Cyclic ketone - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Alcohol - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aliphatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as taxanes and derivatives. These are diterpenoids with a structure based either on the taxane skeleton, or a derivative thereof. In term of phytochemistry, several derivatives of the taxane skeleton exist: 2(3->20)-abeotaxane, 3,11-cyclotaxane, 11(15->1),11(10->9)-abeotaxane, 3,8-seco-taxane, and 11(15->1)-abeotaxane, among others. More complex skeletons have been found recently, which include the taxane-derived [3.3.3] propellane ring system.

External Descriptors

Not available

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